2-[3-methyl-4-(4-methylphenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanenitrile

Systemtic Name: 2-[3-methyl-4-(4-methylphenyl)-5-oxidanylidene-1,2,4-triazol-1-yl]ethanenitrile Openeye Name: 2-[3-methyl-5-oxo-4-(p-tolyl)-1,2,4-triazol-1-yl]acetonitrile CAS Name: 2-[3-methyl-4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetonitrile IUPAC Name: 2-[3-methyl-4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]acetonitrile Traditional Name: 2-[5-keto-3-methyl-4-(p-tolyl)-1,2,4-triazol-1-yl]acetonitrile Formula: C12H12N4O MolecularWeight: 228.24988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O/c1-9-3-5-11(6-4-9)16-10(2)14-15(8-7-13)12(16)17/h3-6H,8H2,1-2H3