-ISIS-  08091621332D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -2.9958   -0.0542    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9958    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -0.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    1.2583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    1.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583   -0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2583   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    0.4458    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  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  1  0  0  0  0
 10 13  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16  7  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 19  2  0  0  0  0
  8  6  1  0  0  0  0
  4  5  1  0  0  0  0
 14 10  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <ID> (BBL000302)
BBL000302

>  <Rotatable_Bonds> (BBL000302)
0

>  <logP> (BBL000302)
4.36

>  <PSA> (BBL000302)
71.32

>  <H_Donors> (BBL000302)
0

>  <H_Acceptors> (BBL000302)
0

>  <Number_of_rings> (BBL000302)
4

>  <NAME> (BBL000302)
6-(biphenyl-4-yl)-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

>  <Mol_Weight> (BBL000302)
292.36

>  <Mol_Formula> (BBL000302)
C16H12N4S

>  <Smiles> (BBL000302)
Cc1nnc2n1nc(s2)c1ccc(cc1)c1ccccc1

>  <Alternative_identifier> (BBL000302)
MFCD06760483

$$$$