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

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]benzonitrile CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]methyl]benzonitrile IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]benzonitrile Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]benzonitrile Formula: C17H15N5O2 MolecularWeight: 321.3333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O2/c1-23-15-8-7-12(9-16(15)24-2)17-19-21-22(20-17)11-14-6-4-3-5-13(14)10-18/h3-9H,11H2,1-2H3