3-methyl-5-[[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-5-[[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-1-phenyl-5-[[5-(p-tolyl)tetrazol-2-yl]methyl]pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[[5-(4-methylphenyl)-2-tetrazolyl]methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-methyl-1-phenyl-5-[[5-(p-tolyl)tetrazol-2-yl]methyl]pyrazole-4-carbonitrile Formula: C20H17N7 MolecularWeight: 355.39588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(N=N2)CC3=C(C(=NN3C4=CC=CC=C4)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(N=N2)CC3=C(C(=NN3C4=CC=CC=C4)C)C#N

InChI

InChI=1S/C20H17N7/c1-14-8-10-16(11-9-14)20-22-25-26(24-20)13-19-18(12-21)15(2)23-27(19)17-6-4-3-5-7-17/h3-11H,13H2,1-2H3