828049
  -OEChem-09272320502D

 26 27  0     0  0  0  0  0  0999 V2000
    8.9962    0.1550    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    0.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.3096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.9996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963   -1.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    0.7206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.1254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -0.3556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  7  1  0  0  0  0
  2 14  1  0  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  4 14  2  0  0  0  0
  4 21  1  0  0  0  0
  5 15  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 17  1  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 20  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
828049

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
354

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgQQAAAADASB2AIyBoBABACkAiBiAACCCAAgIAEIiAAmCJgMJiKEMRqCOCCmwBEIqAfAwDAOAQABAAAIAAACAAIAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-imino-6-methoxy-chromene-3-carbothioamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-imino-6-methoxy-1-benzopyran-3-carbothioamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-imino-6-methoxychromene-3-carbothioamide

> <PUBCHEM_IUPAC_NAME>
2-imino-6-methoxychromene-3-carbothioamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanylidene-6-methoxy-chromene-3-carbothioamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-imino-6-methoxy-chromene-3-carbothioamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H10N2O2S/c1-14-7-2-3-9-6(4-7)5-8(11(13)16)10(12)15-9/h2-5,12H,1H3,(H2,13,16)

> <PUBCHEM_IUPAC_INCHIKEY>
LUCOUNTXDLWPQS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
234.04629874

> <PUBCHEM_MOLECULAR_FORMULA>
C11H10N2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
234.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=S)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=S)N

> <PUBCHEM_CACTVS_TPSA>
100

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
234.04629874

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  13  8
12  13  8
2  14  8
2  7  8
6  7  8
6  8  8
6  9  8
7  11  8
8  10  8
9  12  8

$$$$