4-[(phenylmethyl)-(1,2,4-triazol-1-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(phenylmethyl)-(1,2,4-triazol-1-yl)amino]benzenecarbonitrile Openeye Name: 4-[benzyl(1,2,4-triazol-1-yl)amino]benzonitrile CAS Name: 4-[(phenylmethyl)-(1,2,4-triazol-1-yl)amino]benzonitrile IUPAC Name: 4-[benzyl(1,2,4-triazol-1-yl)amino]benzonitrile Traditional Name: 4-[benzyl(1,2,4-triazol-1-yl)amino]benzonitrile Formula: C16H13N5 MolecularWeight: 275.30792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C#N)N3C=NC=N3

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C#N)N3C=NC=N3

InChI

InChI=1S/C16H13N5/c17-10-14-6-8-16(9-7-14)20(21-13-18-12-19-21)11-15-4-2-1-3-5-15/h1-9,12-13H,11H2