Marvin  05081310322D          

 11 12  0  0  0  0            999 V2000
   14.7115   -5.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9664   -4.9626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0463   -5.7471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7913   -4.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3789   -6.2320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3789   -7.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0933   -8.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0933   -7.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6644   -7.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6644   -8.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3788   -8.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  2  1  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  8  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:38967

> <NAME>
1-phenyl-1H-1,2,4-triazole

> <STAR>
3

> <IUPAC_NAME>
1-phenyl-1H-1,2,4-triazole

> <FORMULA>
C8H7N3

> <MASS>
145.16130

> <MONOISOTOPIC_MASS>
145.06400

> <CHARGE>
0

> <SMILES>
c1ccc(cc1)-n1cncn1

> <INCHI>
InChI=1S/C8H7N3/c1-2-4-8(5-3-1)11-7-9-6-10-11/h1-7H

> <INCHIKEY>
CGRLXLHYYDSTKR-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
116495

> <CAS_REGISTRY_NUMBER>
13423-60-4

> <CHEMIDPLUS>
13423-60-4

$$$$