1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-oxo-2-(p-tolyl)ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-(4-methylphenyl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-(4-methylphenyl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-keto-2-(p-tolyl)ethyl]-1,2,4-triazole-3-carbonitrile Formula: C12H10N4O MolecularWeight: 226.234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C=NC(=N2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C=NC(=N2)C#N

InChI

InChI=1S/C12H10N4O/c1-9-2-4-10(5-3-9)11(17)7-16-8-14-12(6-13)15-16/h2-5,8H,7H2,1H3