-ISIS-  08251614172D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708   -0.7542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  3  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8 10  2  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <ID> (STK409525)
STK409525

>  <Rotatable_Bonds> (STK409525)
1

>  <logP> (STK409525)
1.689

>  <PSA> (STK409525)
61.98

>  <H_Donors> (STK409525)
0

>  <H_Acceptors> (STK409525)
0

>  <Number_of_rings> (STK409525)
1

>  <NAME> (STK409525)
2-(methylsulfanyl)pyridine-3-carbonitrile

>  <Mol_Weight> (STK409525)
150.20

>  <Mol_Formula> (STK409525)
C7H6N2S

>  <Smiles> (STK409525)
CSc1ncccc1C#N

$$$$