62649266
  -OEChem-05102422582D

 30 31  0     0  0  0  0  0  0999 V2000
    5.5202    1.6639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1130   -1.4239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1130   -3.4239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791    0.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111    0.0761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2111    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2111    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233    3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7989    3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    1.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451   -3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2481   -0.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1249    3.7884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2589    3.9255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1218    3.0595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3005    3.0595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1633    3.9255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2973    3.7884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2481   -1.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2481   -3.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451   -4.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3 18  1  0  0  0  0
  4 14  2  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  5 21  1  0  0  0  0
  6 17  3  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
 10 17  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 28  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62649266

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
425

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIYBAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHwQQAAAADACB2AgygYLAAAicBiFSUACjAIBlCBkIiBEARMgIoDLglZGEIQhghADoyY8YiACOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3-cyano-4,5-dimethyl-2-thienyl)-2,3-difluoro-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2,3-difluorobenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-difluorobenzamide

> <PUBCHEM_IUPAC_NAME>
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2,3-difluorobenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2,3-bis(fluoranyl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(3-cyano-4,5-dimethyl-2-thienyl)-2,3-difluoro-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H10F2N2OS/c1-7-8(2)20-14(10(7)6-17)18-13(19)9-4-3-5-11(15)12(9)16/h3-5H,1-2H3,(H,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
JBNVKRFKQBRYJX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
292.04819044

> <PUBCHEM_MOLECULAR_FORMULA>
C14H10F2N2OS

> <PUBCHEM_MOLECULAR_WEIGHT>
292.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(SC(=C1C#N)NC(=O)C2=C(C(=CC=C2)F)F)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(SC(=C1C#N)NC(=O)C2=C(C(=CC=C2)F)F)C

> <PUBCHEM_CACTVS_TPSA>
81.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
292.04819044

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  8  8
1  9  8
13  15  8
13  16  8
15  18  8
16  19  8
18  20  8
19  20  8
7  10  8
7  8  8
9  10  8

$$$$