1-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[[4-(p-tolylsulfonyl)phenyl]methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[[4-(4-methylphenyl)sulfonylphenyl]methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-(4-tosylbenzyl)-1,2,4-triazole-3-carbonitrile Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CN3C=NC(=N3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CN3C=NC(=N3)C#N

InChI

InChI=1S/C17H14N4O2S/c1-13-2-6-15(7-3-13)24(22,23)16-8-4-14(5-9-16)11-21-12-19-17(10-18)20-21/h2-9,12H,11H2,1H3