3-[[[3-(1,2,4-triazol-4-yl)phenyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[[3-(1,2,4-triazol-4-yl)phenyl]amino]methyl]benzenecarbonitrile Openeye Name: 3-[[3-(1,2,4-triazol-4-yl)anilino]methyl]benzonitrile CAS Name: 3-[[3-(1,2,4-triazol-4-yl)anilino]methyl]benzonitrile IUPAC Name: 3-[[3-(1,2,4-triazol-4-yl)anilino]methyl]benzonitrile Traditional Name: 3-[[3-(1,2,4-triazol-4-yl)anilino]methyl]benzonitrile Formula: C16H13N5 MolecularWeight: 275.30792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC2=CC=CC(=C2)N3C=NN=C3)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=CC=CC(=C2)N3C=NN=C3)C#N

InChI

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