5-[(3-oxidanylidene-1H-1,2,4-triazol-2-yl)methyl]-2-phenyl-benzenecarbonitrile

Systemtic Name: 5-[(3-oxidanylidene-1H-1,2,4-triazol-2-yl)methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[(3-oxo-1H-1,2,4-triazol-2-yl)methyl]-2-phenyl-benzonitrile CAS Name: 5-[(3-oxo-1H-1,2,4-triazol-2-yl)methyl]-2-phenylbenzonitrile IUPAC Name: 5-[(3-oxo-1H-1,2,4-triazol-2-yl)methyl]-2-phenylbenzonitrile Traditional Name: 5-[(3-keto-1H-1,2,4-triazol-2-yl)methyl]-2-phenyl-benzonitrile Formula: C16H12N4O MolecularWeight: 276.29268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)CN3C(=O)N=CN3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)CN3C(=O)N=CN3)C#N

InChI

InChI=1S/C16H12N4O/c17-9-14-8-12(10-20-16(21)18-11-19-20)6-7-15(14)13-4-2-1-3-5-13/h1-8,11H,10H2,(H,18,19,21)