
 SEW2871

 40 43  0  0  0  0  0  0  0  0999 V2000
   -0.0291    4.0609    0.3552 C   0  0  0  0  0
    1.0703    4.5947   -0.3146 C   0  0  0  0  0
    2.2404    3.8424   -0.4613 C   0  0  0  0  0
    2.3352    2.5583    0.0892 C   0  0  0  0  0
    1.2164    2.0289    0.7526 C   0  0  0  0  0
    0.0403    2.7741    0.8803 C   0  0  0  0  0
    3.5520    1.7466   -0.0268 C   0  0  0  0  0
    4.8359    2.2238    0.2171 C   0  0  0  0  0
    6.0086    0.9788    0.0418 S   0  0  0  0  0
    4.8405   -0.2060   -0.3218 C   0  0  0  0  0
    3.5740    0.3407   -0.3472 C   0  0  0  0  0
    5.2133   -1.5717   -0.5615 C   0  0  0  0  0
    4.4252   -2.4786   -1.1032 N   0  0  0  0  0
    5.2237   -3.6029   -1.1486 C   0  0  0  0  0
    6.4458   -3.4186   -0.6246 N   0  0  0  0  0
    6.4462   -2.0830   -0.2468 O   0  0  0  0  0
    4.7880   -4.8630   -1.7418 C   0  0  0  0  0
    5.6131   -6.0007   -1.7041 C   0  0  0  0  0
    5.2162   -7.2101   -2.2998 C   0  0  0  0  0
    3.9694   -7.2706   -2.9403 C   0  0  0  0  0
    3.1394   -6.1506   -2.9807 C   0  0  0  0  0
    3.5452   -4.9549   -2.3839 C   0  0  0  0  0
    6.1076   -8.4278   -2.2648 C   0  0  0  0  0
    5.5143   -9.4880   -1.6505 F   0  0  0  0  0
    6.4459   -8.8595   -3.5109 F   0  0  0  0  0
    7.2833   -8.2265   -1.6080 F   0  0  0  0  0
    5.3153    3.5947    0.5888 C   0  0  0  0  0
    6.5731    3.6010    1.1112 F   0  0  0  0  0
    5.3517    4.4187   -0.4943 F   0  0  0  0  0
    4.5216    4.1946    1.5152 F   0  0  0  0  0
   -0.9384    4.6463    0.4628 H   0  0  0  0  0
    1.0160    5.6002   -0.7286 H   0  0  0  0  0
    3.0602    4.2820   -1.0185 H   0  0  0  0  0
    1.2476    1.0312    1.1861 H   0  0  0  0  0
   -0.8171    2.3497    1.3945 H   0  0  0  0  0
    2.6899   -0.2471   -0.5697 H   0  0  0  0  0
    6.5841   -5.9482   -1.2092 H   0  0  0  0  0
    3.6431   -8.1965   -3.4133 H   0  0  0  0  0
    2.1758   -6.2062   -3.4821 H   0  0  0  0  0
    2.8870   -4.0902   -2.4320 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  2  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 34  1  0  0  0
  6 35  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 11 36  1  0  0  0
 12 16  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 17  1  0  0  0
 15 16  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 21 22  2  0  0  0
 21 39  1  0  0  0
 22 40  1  0  0  0
 23 26  1  0  0  0
 23 25  1  0  0  0
 23 24  1  0  0  0
 27 30  1  0  0  0
 27 29  1  0  0  0
 27 28  1  0  0  0
M  END

>  <Chemical Name>
SEW2871

>  <PubChem CID>
4077460

>  <Formula>
C20H10F6N2OS

>  <Molecular Weight>
440.363000

>  <IUPAC Name>
5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=C(SC(=C2)C3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=C(SC(=C2)C3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H

>  <InChI Key>
OYMNPJXKQVTQTR-UHFFFAOYSA-N

