2-[(4-chlorophenyl)methyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-one

Systemtic Name: 2-[(4-chlorophenyl)methyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-one Openeye Name: 2-[(4-chlorophenyl)methyl]-5-methyl-4-(p-tolyl)-1,2,4-triazol-3-one CAS Name: 2-[(4-chlorophenyl)methyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-one IUPAC Name: 2-[(4-chlorophenyl)methyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-one Traditional Name: 2-(4-chlorobenzyl)-5-methyl-4-(p-tolyl)-1,2,4-triazol-3-one Formula: C17H16ClN3O MolecularWeight: 313.78144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O/c1-12-3-9-16(10-4-12)21-13(2)19-20(17(21)22)11-14-5-7-15(18)8-6-14/h3-10H,11H2,1-2H3