246394
  CDK     0105242200

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.0930   -0.8410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.3965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5690    1.7065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9039    1.7065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8240    2.4911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -1.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -2.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -2.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6490    2.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  2 10  2  3  0  0  0 
  2 13  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3 13  1  0  0  0  0 
  4 13  2  0  0  0  0 
  4 14  1  0  0  0  0 
  5 14  2  0  0  0  0 
  6  7  1  0  0  0  0 
  6  8  2  0  0  0  0 
  6 10  1  0  0  0  0 
  7  9  2  0  0  0  0 
  8 11  1  0  0  0  0 
  9 12  1  0  0  0  0 
 11 12  2  0  0  0  0 
M  END
> <ID>
CHEBI:228720

> <NAME>
2-[(1H-1,2,4-triazol-3-ylimino)methyl]phenol

> <STAR>
2

> <IUPAC_NAME>
2-(1H-1,2,4-triazol-5-yliminomethyl)phenol

> <FORMULA>
C9H8N4O

> <MASS>
188.190

> <MONOISOTOPIC_MASS>
188.06981

> <CHARGE>
0

> <SMILES>
OC=1C(=CC=CC1)C=NC=2NN=CN2

> <INCHI>
InChI=1S/C9H8N4O/c14-8-4-2-1-3-7(8)5-10-9-11-6-12-13-9/h1-6,14H,(H,11,12,13)

> <INCHIKEY>
BKYHBHVZLQLDIP-UHFFFAOYSA-N

$$$$