-ISIS-  08251613552D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.2542   -0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7583    0.6208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2417   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1667    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0917    1.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083    1.4625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6417   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4417   -2.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250    2.9792    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    1.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4167    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0292   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4417   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0417   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8 18  1  0  0  0  0
  9  6  1  0  0  0  0
 10 14  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19  7  2  0  0  0  0
 20  7  1  0  0  0  0
  5  2  1  0  0  0  0
  8 17  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <ID> (STK292973)
STK292973

>  <Rotatable_Bonds> (STK292973)
2

>  <logP> (STK292973)
4.539

>  <PSA> (STK292973)
77.11

>  <H_Donors> (STK292973)
0

>  <H_Acceptors> (STK292973)
1

>  <Number_of_rings> (STK292973)
3

>  <NAME> (STK292973)
4-{5-[(4-iodobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pyridine

>  <Mol_Weight> (STK292973)
395.22

>  <Mol_Formula> (STK292973)
C14H10IN3OS

>  <Smiles> (STK292973)
Ic1ccc(cc1)CSc1nnc(o1)c1ccncc1

$$$$