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

Systemtic Name: 3-[[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[5-(p-tolyl)tetrazol-2-yl]methyl]benzonitrile CAS Name: 3-[[5-(4-methylphenyl)-2-tetrazolyl]methyl]benzonitrile IUPAC Name: 3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]benzonitrile Traditional Name: 3-[[5-(p-tolyl)tetrazol-2-yl]methyl]benzonitrile Formula: C16H13N5 MolecularWeight: 275.30792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H13N5/c1-12-5-7-15(8-6-12)16-18-20-21(19-16)11-14-4-2-3-13(9-14)10-17/h2-9H,11H2,1H3