-ISIS-  08091621332D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.6583   -0.3917    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6583    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.9250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3833    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3833   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    1.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083   -1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -1.8542    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  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 14  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15 11  1  0  0  0  0
 16  7  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
  8  6  1  0  0  0  0
  4  5  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <ID> (BBL000261)
BBL000261

>  <Rotatable_Bonds> (BBL000261)
2

>  <logP> (BBL000261)
2.73

>  <PSA> (BBL000261)
97.34

>  <H_Donors> (BBL000261)
2

>  <H_Acceptors> (BBL000261)
0

>  <Number_of_rings> (BBL000261)
3

>  <NAME> (BBL000261)
5-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylaniline

>  <Mol_Weight> (BBL000261)
259.33

>  <Mol_Formula> (BBL000261)
C12H13N5S

>  <Smiles> (BBL000261)
CCc1nnc2n1nc(s2)c1ccc(c(c1)N)C

>  <Alternative_identifier> (BBL000261)
MFCD05843146

$$$$