
 N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide

 31 33  0  0  0  0  0  0  0  0999 V2000
   -1.9077    1.7956    0.2323 C   0  0  0  0  0
   -2.6661    0.6013   -0.3627 C   0  0  0  0  0
   -2.1027   -0.7345    0.1456 C   0  0  0  0  0
   -0.6063   -0.7246    0.0851 C   0  0  0  0  0
    0.1803    0.4051   -0.0377 C   0  0  0  0  0
   -0.4211    1.7794   -0.1564 C   0  0  0  0  0
    1.5837    0.0763   -0.0579 C   0  0  0  0  0
    1.7774   -1.2893    0.0082 C   0  0  0  0  0
    0.3137   -2.1442    0.2256 S   0  0  0  0  0
    2.8576   -2.1437   -0.0391 N   0  0  0  0  0
    4.0717   -1.8176   -0.5906 C   0  0  0  0  0
    4.3642   -0.7825   -1.1670 O   0  0  0  0  0
    5.0623   -2.9276   -0.4958 C   0  0  0  0  0
    5.1669   -3.9348   -1.6182 C   0  0  0  0  0
    6.2771   -2.9516   -1.3954 C   0  0  0  0  0
    2.6087    1.0818   -0.0772 C   0  0  0  0  0
    3.3576    1.9687   -0.0304 N   0  0  0  0  0
   -2.0007    1.7700    1.3256 H   0  0  0  0  0
   -2.3620    2.7341   -0.1051 H   0  0  0  0  0
   -2.5929    0.6394   -1.4573 H   0  0  0  0  0
   -3.7302    0.6693   -0.1103 H   0  0  0  0  0
   -2.5158   -1.5545   -0.4526 H   0  0  0  0  0
   -2.4167   -0.8894    1.1852 H   0  0  0  0  0
    0.1219    2.4933    0.4732 H   0  0  0  0  0
   -0.3163    2.1120   -1.1967 H   0  0  0  0  0
    2.6737   -3.1151    0.1762 H   0  0  0  0  0
    5.2193   -3.2936    0.5145 H   0  0  0  0  0
    4.5520   -3.7975   -2.5013 H   0  0  0  0  0
    5.3528   -4.9710   -1.3615 H   0  0  0  0  0
    7.2091   -3.3110   -0.9752 H   0  0  0  0  0
    6.4010   -2.1476   -2.1141 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  7 16  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 15 30  1  0  0  0
 15 31  1  0  0  0
 16 17  3  0  0  0
M  END

>  <Chemical Name>
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide

>  <PubChem CID>
694422

>  <Formula>
C13H14N2OS

>  <Molecular Weight>
246.328000

>  <IUPAC Name>
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC3)C#N

>  <Isomeric SMILES>
C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC3)C#N

>  <InChI Std. ID>
InChI=1S/C13H14N2OS/c14-7-10-9-3-1-2-4-11(9)17-13(10)15-12(16)8-5-6-8/h8H,1-6H2,(H,15,16)

>  <InChI Key>
DAYQQRFQUSNVLD-UHFFFAOYSA-N

