63188924
  -OEChem-04252423412D

 30 31  0     0  0  0  0  0  0999 V2000
    5.5202    2.1639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5772   -2.9239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1130   -2.9239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451   -3.9239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791    0.5761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111    0.5761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2111    3.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2111    3.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111    1.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021    2.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6233    3.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7989    3.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451   -0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111   -2.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9791   -2.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    1.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2481    0.2661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1249    4.2884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2589    4.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1218    3.5595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3005    3.5595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1633    4.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2973    4.2884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421   -1.1139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2481   -1.1139    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 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 21  1  0  0  0  0
  5 15  2  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  6 22  1  0  0  0  0
  7 20  3  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
63188924

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
443

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIYBAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHwQQAAAADACB2AgygYLAAAicBiFSUACjAIBlCBkAiBEARMgIoDLglZGEIQhghADoyY8YiACOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H9F3N2OS/c1-6-7(2)21-14(9(6)5-18)19-13(20)8-3-10(15)12(17)11(16)4-8/h3-4H,1-2H3,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
ZHIDWQQZQCGFKM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
310.03876857

> <PUBCHEM_MOLECULAR_FORMULA>
C14H9F3N2OS

> <PUBCHEM_MOLECULAR_WEIGHT>
310.30

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

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

> <PUBCHEM_CACTVS_TPSA>
81.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
310.03876857

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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
10  11  8
14  16  8
14  17  8
16  19  8
17  18  8
18  21  8
19  21  8
8  11  8
8  9  8

$$$$