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

Systemtic Name: 4-[[(4-cyanophenyl)-(1,2,4-triazol-1-yl)amino]methyl]benzenecarbonitrile Openeye Name: 4-[[4-cyano-N-(1,2,4-triazol-1-yl)anilino]methyl]benzonitrile CAS Name: 4-[[4-cyano-N-(1,2,4-triazol-1-yl)anilino]methyl]benzonitrile IUPAC Name: 4-[[4-cyano-N-(1,2,4-triazol-1-yl)anilino]methyl]benzonitrile Traditional Name: 4-[[4-cyano-N-(1,2,4-triazol-1-yl)anilino]methyl]benzonitrile Formula: C17H12N6 MolecularWeight: 300.31738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)N3C=NC=N3)C#N

Isomeric SMILES

C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)N3C=NC=N3)C#N

InChI

InChI=1S/C17H12N6/c18-9-14-1-3-16(4-2-14)11-22(23-13-20-12-21-23)17-7-5-15(10-19)6-8-17/h1-8,12-13H,11H2