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

Systemtic Name: 3-[phenyl(1,2,4-triazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 3-[phenyl(1,2,4-triazol-4-yl)methyl]benzonitrile CAS Name: 3-[phenyl(1,2,4-triazol-4-yl)methyl]benzonitrile IUPAC Name: 3-[phenyl(1,2,4-triazol-4-yl)methyl]benzonitrile Traditional Name: 3-[phenyl(1,2,4-triazol-4-yl)methyl]benzonitrile Formula: C16H12N4 MolecularWeight: 260.29328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4/c17-10-13-5-4-8-15(9-13)16(20-11-18-19-12-20)14-6-2-1-3-7-14/h1-9,11-12,16H