3-[[4-(2-chlorophenyl)-5-oxidanylidene-1,2,3,4-tetrazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-chlorophenyl)-5-oxidanylidene-1,2,3,4-tetrazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-chlorophenyl)-5-oxo-tetrazol-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(2-chlorophenyl)-5-oxo-1-tetrazolyl]methyl]benzonitrile IUPAC Name: 3-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2-chlorophenyl)-5-keto-tetrazol-1-yl]methyl]benzonitrile Formula: C15H10ClN5O MolecularWeight: 311.7258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=O)N(N=N2)CC3=CC=CC(=C3)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=O)N(N=N2)CC3=CC=CC(=C3)C#N)Cl

InChI

InChI=1S/C15H10ClN5O/c16-13-6-1-2-7-14(13)21-15(22)20(18-19-21)10-12-5-3-4-11(8-12)9-17/h1-8H,10H2