4-[(E)-(4-methylphenyl)methylideneamino]-3-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-[(E)-(4-methylphenyl)methylideneamino]-3-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-benzyl-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one CAS Name: 4-[(E)-(4-methylphenyl)methylideneamino]-3-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-benzyl-4-[(E)-(4-methylphenyl)methylideneamino]-1H-1,2,4-triazol-5-one Traditional Name: 3-benzyl-4-[(E)-(4-methylbenzylidene)amino]-1H-1,2,4-triazol-5-one Formula: C17H16N4O MolecularWeight: 292.33514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=NN2C(=NNC2=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)/C=N/N2C(=NNC2=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H16N4O/c1-13-7-9-15(10-8-13)12-18-21-16(19-20-17(21)22)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,20,22)/b18-12+