2-[4-(4-methylphenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanenitrile

Systemtic Name: 2-[4-(4-methylphenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanenitrile Openeye Name: 2-[5-oxo-4-(p-tolyl)-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-[4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetonitrile Traditional Name: 2-[5-keto-4-(p-tolyl)-1,2,4-triazol-1-yl]acetonitrile Formula: C11H10N4O MolecularWeight: 214.2233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NN(C2=O)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NN(C2=O)CC#N

InChI

InChI=1S/C11H10N4O/c1-9-2-4-10(5-3-9)14-8-13-15(7-6-12)11(14)16/h2-5,8H,7H2,1H3