
 2-(3-Cyano-quinolin-2-ylsulfanyl)-N-cyclopropyl-acetamide

 33 35  0  0  0  0  0  0  0  0999 V2000
    4.7164    4.3845   -0.3759 C   0  0  0  0  0
    3.5368    4.3179    0.5484 C   0  0  0  0  0
    4.1761    3.0490    0.0542 C   0  0  0  0  0
    4.9205    2.2186    0.9444 N   0  0  0  0  0
    5.8147    1.2638    0.4896 C   0  0  0  0  0
    6.0497    1.0596   -0.6991 O   0  0  0  0  0
    6.4984    0.4915    1.5996 C   0  0  0  0  0
    5.5382   -1.0065    1.9813 S   0  0  0  0  0
    6.5587   -1.6856    3.2825 C   0  0  0  0  0
    7.2010   -0.7655    4.0478 N   0  0  0  0  0
    7.9714   -1.1811    5.0670 C   0  0  0  0  0
    8.6306   -0.2434    5.8495 C   0  0  0  0  0
    9.4453   -0.6239    6.9192 C   0  0  0  0  0
    9.6090   -1.9714    7.2190 C   0  0  0  0  0
    8.9564   -2.9329    6.4498 C   0  0  0  0  0
    8.1370   -2.5448    5.3751 C   0  0  0  0  0
    7.4622   -3.4807    4.5816 C   0  0  0  0  0
    6.6546   -3.0522    3.5212 C   0  0  0  0  0
    5.9750   -4.0305    2.7296 C   0  0  0  0  0
    5.4448   -4.8621    2.1186 N   0  0  0  0  0
    4.5480    4.6836   -1.4041 H   0  0  0  0  0
    5.6686    4.7074    0.0276 H   0  0  0  0  0
    2.5646    4.5820    0.1485 H   0  0  0  0  0
    3.6890    4.6164    1.5785 H   0  0  0  0  0
    3.6255    2.4821   -0.6943 H   0  0  0  0  0
    4.6780    2.2289    1.9282 H   0  0  0  0  0
    6.5868    1.1357    2.4806 H   0  0  0  0  0
    7.5074    0.2255    1.2679 H   0  0  0  0  0
    8.5083    0.8131    5.6225 H   0  0  0  0  0
    9.9490    0.1346    7.5135 H   0  0  0  0  0
   10.2426   -2.2727    8.0496 H   0  0  0  0  0
    9.0911   -3.9845    6.6941 H   0  0  0  0  0
    7.5629   -4.5451    4.7899 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  9 18  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 14  2  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 19 20  3  0  0  0
M  END

>  <Chemical Name>
2-(3-Cyano-quinolin-2-ylsulfanyl)-N-cyclopropyl-acetamide

>  <PubChem CID>
1433832

>  <Formula>
C15H13N3OS

>  <Molecular Weight>
283.349000

>  <IUPAC Name>
2-(3-cyanoquinolin-2-yl)sulfanyl-N-cyclopropylacetamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1NC(=O)CSC2=NC3=CC=CC=C3C=C2C#N

>  <Isomeric SMILES>
C1CC1NC(=O)CSC2=NC3=CC=CC=C3C=C2C#N

>  <InChI Std. ID>
InChI=1S/C15H13N3OS/c16-8-11-7-10-3-1-2-4-13(10)18-15(11)20-9-14(19)17-12-5-6-12/h1-4,7,12H,5-6,9H2,(H,17,19)

>  <InChI Key>
AMPBYDMILSPYRE-UHFFFAOYSA-N

