1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-1,2,4-triazole-3-carbonitrile Formula: C20H16N6O MolecularWeight: 356.38064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CN3C=NC(=N3)C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CN3C=NC(=N3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C20H16N6O/c1-27-18-9-7-15(8-10-18)20-16(12-25-14-22-19(11-21)23-25)13-26(24-20)17-5-3-2-4-6-17/h2-10,13-14H,12H2,1H3