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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCC2=CC=C(C=C2)C#N)N3C=NC=N3

Isomeric SMILES

C1=CC=C(C(=C1)NCC2=CC=C(C=C2)C#N)N3C=NC=N3

InChI

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