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

Systemtic Name: 5-(4-methylphenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-2-(phenylmethyl)-1,2,4-triazol-3-one Openeye Name: 2-benzyl-4-[(E)-1-naphthylmethyleneamino]-5-(p-tolyl)-1,2,4-triazol-3-one CAS Name: 5-(4-methylphenyl)-4-[(E)-1-naphthalenylmethylideneamino]-2-(phenylmethyl)-1,2,4-triazol-3-one IUPAC Name: 2-benzyl-5-(4-methylphenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1,2,4-triazol-3-one Traditional Name: 2-benzyl-4-[(E)-1-naphthylmethyleneamino]-5-(p-tolyl)-1,2,4-triazol-3-one Formula: C27H22N4O MolecularWeight: 418.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)N2N=CC3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)N2/N=C/C3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O/c1-20-14-16-23(17-15-20)26-29-30(19-21-8-3-2-4-9-21)27(32)31(26)28-18-24-12-7-11-22-10-5-6-13-25(22)24/h2-18H,19H2,1H3/b28-18+