5289247
  -OEChem-10191523062D

 25 27  0     0  0  0  0  0  0999 V2000
    4.0948    0.6290    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0778   -1.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7099    1.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166   -0.0291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5573   -0.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5573    1.1691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0653   -0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1993   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2857   -0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1166    0.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4634   -0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4634    0.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974   -1.4856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0653   -1.4856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3944    0.9445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    1.7544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9991   -0.6984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9991    0.9673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  2 15  2  0  0  0  0
  3 16  2  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  2  0  0  0  0
  5 17  1  0  0  0  0
  6 10  2  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 14 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5289247

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
410

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzMABAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAACx8AAAHgQQAAAADAjB3gQ8wLLIEAioAzV3VACCgCRxEjAI2CA4dNgIYOLAkZGUIAhghCDIyYcQgAAOCAAAQAAAACAQAACAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5Z)-5-(quinoxalin-6-ylmethylene)thiazolidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
(5Z)-5-(6-quinoxalinylmethylidene)thiazolidine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5Z)-5-(quinoxalin-6-ylmethylene)thiazolidine-2,4-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6-

> <PUBCHEM_IUPAC_INCHIKEY>
SQWZFLMPDUSYGV-POHAHGRESA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
257.025897

> <PUBCHEM_MOLECULAR_FORMULA>
C12H7N3O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
257.26788

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=NC=CN=C2C=C1C=C3C(=O)NC(=O)S3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=NC=CN=C2C=C1/C=C\3/C(=O)NC(=O)S3

> <PUBCHEM_CACTVS_TPSA>
97.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
257.025897

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
12  14  8
17  18  8
5  17  8
5  8  8
6  10  8
6  18  8
7  12  8
7  9  8
8  10  8
8  9  8

$$$$