1257250
  -OEChem-05082419122D

 27 28  0     0  0  0  0  0  0999 V2000
    2.0000   -2.9330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0670    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0630    2.9065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5467    3.7210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0718    4.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564    4.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3815    3.7210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 11  2  0  0  0  0
  3 17  1  0  0  0  0
  4 10  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1257250

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
325

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIQBEAAAAAAAAAAAAGAAAAAAAAAAwAAAAAAAAAAABAAAAHwYQAAAADQqBkCgxwILAAACMACVSUACCAAAhBwkIiAEAZoiIIDLBk5GEIAhokQJIyCcQAAAAAAAAAAIAAAAAAAAABAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(3-chloro-4-fluoro-phenyl)carbamothioyl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(3-chloro-4-fluorophenyl)carbamothioyl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_NAME>
N-[(3-chloro-4-fluorophenyl)carbamothioyl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]cyclopropanecarboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H10ClFN2OS/c12-8-5-7(3-4-9(8)13)14-11(17)15-10(16)6-1-2-6/h3-6H,1-2H2,(H2,14,15,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
NNHBHBHICWBVRN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
272.0186400

> <PUBCHEM_MOLECULAR_FORMULA>
C11H10ClFN2OS

> <PUBCHEM_MOLECULAR_WEIGHT>
272.73

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1C(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1C(=O)NC(=S)NC2=CC(=C(C=C2)F)Cl

> <PUBCHEM_CACTVS_TPSA>
73.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
272.0186400

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
5

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
12  14  8
13  15  8
14  16  8
15  17  8
16  17  8

$$$$