5-methyl-4-(4-methylphenyl)-2-(phenylmethyl)-1,2,4-triazol-3-one

Systemtic Name: 5-methyl-4-(4-methylphenyl)-2-(phenylmethyl)-1,2,4-triazol-3-one Openeye Name: 2-benzyl-5-methyl-4-(p-tolyl)-1,2,4-triazol-3-one CAS Name: 5-methyl-4-(4-methylphenyl)-2-(phenylmethyl)-1,2,4-triazol-3-one IUPAC Name: 2-benzyl-5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-one Traditional Name: 2-benzyl-5-methyl-4-(p-tolyl)-1,2,4-triazol-3-one Formula: C17H17N3O MolecularWeight: 279.33638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C17H17N3O/c1-13-8-10-16(11-9-13)20-14(2)18-19(17(20)21)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3