3769533
  -OEChem-05052414012D

 28 29  0     0  0  0  0  0  0999 V2000
    3.7891    1.6639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    3.4239    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.6149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582    1.3548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1874    3.0595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503    3.9255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1843    3.7884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.1139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8189    1.7697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4870    0.7484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  3 14  1  0  0  0  0
  4 11  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3769533

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
413

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIQBgAAAAAAAAAAAAAAAAAQAAAAAwAAAAAAAAAAABAAAAHwQQAAAACAiB0AwzwIPAAAiMACVSUACCAABhAhgIiAAIZMiIICLAkZGEIAhglADIyEcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-N-(2-fluorophenyl)-3-methyl-2-thioxo-thiazole-5-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-5-thiazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-amino-<I>N</I>-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

> <PUBCHEM_IUPAC_NAME>
4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanyl-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-N-(2-fluorophenyl)-3-methyl-2-thioxo-4-thiazoline-5-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H10FN3OS2/c1-15-9(13)8(18-11(15)17)10(16)14-7-5-3-2-4-6(7)12/h2-5H,13H2,1H3,(H,14,16)

> <PUBCHEM_IUPAC_INCHIKEY>
ZAKPCTBIXWLOBB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
283.02493246

> <PUBCHEM_MOLECULAR_FORMULA>
C11H10FN3OS2

> <PUBCHEM_MOLECULAR_WEIGHT>
283.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C(=C(SC1=S)C(=O)NC2=CC=CC=C2F)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C(=C(SC1=S)C(=O)NC2=CC=CC=C2F)N

> <PUBCHEM_CACTVS_TPSA>
116

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
283.02493246

> <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>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  10  8
1  9  8
13  14  8
13  15  8
14  16  8
15  17  8
16  18  8
17  18  8
5  10  8
5  8  8
8  9  8

$$$$