4-(1,2,4-triazol-4-yl)benzenecarbonitrile

Systemtic Name: 4-(1,2,4-triazol-4-yl)benzenecarbonitrile Openeye Name: 4-(1,2,4-triazol-4-yl)benzonitrile CAS Name: 4-(1,2,4-triazol-4-yl)benzonitrile IUPAC Name: 4-(1,2,4-triazol-4-yl)benzonitrile Traditional Name: 4-(1,2,4-triazol-4-yl)benzonitrile Formula: C9H6N4 MolecularWeight: 170.17074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N2C=NN=C2

Isomeric SMILES

C1=CC(=CC=C1C#N)N2C=NN=C2

InChI

InChI=1S/C9H6N4/c10-5-8-1-3-9(4-2-8)13-6-11-12-7-13/h1-4,6-7H