3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1-(phenylmethyl)-1,2,3-triazol-1-ium-4-olate

Systemtic Name: 3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1-(phenylmethyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-benzyl-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate CAS Name: 5-[(4-methylanilino)-oxomethyl]-3-(4-methylphenyl)-1-(phenylmethyl)-4-triazol-1-iumolate IUPAC Name: 1-benzyl-3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]triazol-1-ium-4-olate Traditional Name: 1-benzyl-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate Formula: C24H22N4O2 MolecularWeight: 398.45708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(N(N=[N+]2CC3=CC=CC=C3)C4=CC=C(C=C4)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(N(N=[N+]2CC3=CC=CC=C3)C4=CC=C(C=C4)C)[O-]

InChI

InChI=1S/C24H22N4O2/c1-17-8-12-20(13-9-17)25-23(29)22-24(30)28(21-14-10-18(2)11-15-21)26-27(22)16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H-,25,26,29,30)