1372312
  -OEChem-05191321212D

 35 37  0     0  0  0  0  0  0999 V2000
    5.4641   -2.7143    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7143    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    0.3790    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    1.0176    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595    2.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    1.9881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    2.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    3.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    1.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6698    2.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888    3.9198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6643    2.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833    4.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0710    3.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1307    3.5202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4859    3.0517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.5957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4176    1.6308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1243    4.4214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.9043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0287    1.8001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7354    4.5907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877    3.2801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.0243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  2  0  0  0  0
  5 10  2  0  0  0  0
  6 24  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  3  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 28  1  0  0  0  0
 16 20  2  0  0  0  0
 16 29  1  0  0  0  0
 17 23  1  0  0  0  0
 17 30  1  0  0  0  0
 18 22  2  0  0  0  0
 18 31  1  0  0  0  0
 19 21  2  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1372312

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
525

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MABmAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgYACAAADAbB2CQwBoMAAgiMAiFSEACCAABgJVgIiAAMD8gIJiKDkxOEcAhkxhGImYeQwAAOIAAAIACACABAAABAAQAQAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-benzyl-5-[(3,5-dichloro-4-hydroxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(phenylmethyl)-2-sulfanylidene-4-thiazolidinone

> <PUBCHEM_IUPAC_NAME>
3-benzyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]methylidene]-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-benzyl-5-(3,5-dichloro-4-hydroxy-benzylidene)-2-thioxo-thiazolidin-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H11Cl2NO2S2/c18-12-6-11(7-13(19)15(12)21)8-14-16(22)20(17(23)24-14)9-10-4-2-1-3-5-10/h1-8,21H,9H2

> <PUBCHEM_IUPAC_INCHIKEY>
GUTDAFSEGCDHHH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
394.960826

> <PUBCHEM_MOLECULAR_FORMULA>
C17H11Cl2NO2S2

> <PUBCHEM_MOLECULAR_WEIGHT>
396.31074

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)CN2C(=O)C(=CC3=CC(=C(C(=C3)Cl)O)Cl)SC2=S

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)CN2C(=O)C(=CC3=CC(=C(C(=C3)Cl)O)Cl)SC2=S

> <PUBCHEM_CACTVS_TPSA>
97.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
394.960826

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  1
14  17  8
14  18  8
15  19  8
16  20  8
17  23  8
18  22  8
19  21  8
20  21  8
22  24  8
23  24  8
9  15  8
9  16  8

$$$$