-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.7958   -0.2792    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.6042    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2958    1.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958    1.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7958   -1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0208    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    0.0083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7250    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6708    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3542    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5542   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
  3  5  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <ID> (BBL000567)
BBL000567

>  <Rotatable_Bonds> (BBL000567)
3

>  <logP> (BBL000567)
2.23

>  <PSA> (BBL000567)
95.53

>  <H_Donors> (BBL000567)
2

>  <H_Acceptors> (BBL000567)
0

>  <Number_of_rings> (BBL000567)
2

>  <NAME> (BBL000567)
4-amino-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol

>  <Mol_Weight> (BBL000567)
220.30

>  <Mol_Formula> (BBL000567)
C10H12N4S

>  <Smiles> (BBL000567)
Sc1nnc(n1N)CCc1ccccc1

>  <Alternative_identifier> (BBL000567)
MFCD10689949

$$$$