-ISIS-  08251614182D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.3375    0.8667    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3375   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7542    0.1875    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.3375   -0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8458   -0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -0.0667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9667    1.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3500    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9542    1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6167   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250    0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2042   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375    0.8667    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8375    1.7458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8458   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3458   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  2  0  0  0  0
 12 14  2  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  1  0  0  0  0
 16  1  1  0  0  0  0
 17  1  2  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 21  1  0  0  0  0
 21 19  2  0  0  0  0
 20 18  2  0  0  0  0
 15 13  2  0  0  0  0
  7  8  1  0  0  0  0
M  CHG  2   1   1  16  -1
M  END
>  <ID> (STK009058)
STK009058

>  <Rotatable_Bonds> (STK009058)
2

>  <logP> (STK009058)
1.354

>  <PSA> (STK009058)
102.03

>  <H_Donors> (STK009058)
0

>  <H_Acceptors> (STK009058)
3

>  <Number_of_rings> (STK009058)
3

>  <NAME> (STK009058)
N-{(E)-[5-(2-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine

>  <Mol_Weight> (STK009058)
283.25

>  <Mol_Formula> (STK009058)
C13H9N5O3

>  <Smiles> (STK009058)
[O-][N+](=O)c1ccccc1c1ccc(o1)/C=N/n1cnnc1

$$$$