-ISIS-  08091621332D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.2292    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292   -0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958   -0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4958    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750   -1.6958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.7208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9708   -0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  7  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  3  0  0  0  0
 10  5  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
  4  3  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <ID> (BBL000458)
BBL000458

>  <Rotatable_Bonds> (BBL000458)
1

>  <logP> (BBL000458)
2.021

>  <PSA> (BBL000458)
96.15

>  <H_Donors> (BBL000458)
1

>  <H_Acceptors> (BBL000458)
0

>  <Number_of_rings> (BBL000458)
2

>  <NAME> (BBL000458)
6-(thiophen-2-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile

>  <Mol_Weight> (BBL000458)
218.30

>  <Mol_Formula> (BBL000458)
C10H6N2S2

>  <Smiles> (BBL000458)
N#Cc1ccc([nH]c1=S)c1cccs1

>  <Alternative_identifier> (BBL000458)
MFCD00854641

$$$$