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

Systemtic Name: 2-[[5-(3-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[5-(3-methoxyphenyl)tetrazol-2-yl]methyl]benzonitrile CAS Name: 2-[[5-(3-methoxyphenyl)-2-tetrazolyl]methyl]benzonitrile IUPAC Name: 2-[[5-(3-methoxyphenyl)tetrazol-2-yl]methyl]benzonitrile Traditional Name: 2-[[5-(3-methoxyphenyl)tetrazol-2-yl]methyl]benzonitrile Formula: C16H13N5O MolecularWeight: 291.30732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(N=N2)CC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(N=N2)CC3=CC=CC=C3C#N

InChI

InChI=1S/C16H13N5O/c1-22-15-8-4-7-12(9-15)16-18-20-21(19-16)11-14-6-3-2-5-13(14)10-17/h2-9H,11H2,1H3