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

Systemtic Name: 3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1-phenacyl-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-phenacyl-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate CAS Name: 5-[(4-methylanilino)-oxomethyl]-3-(4-methylphenyl)-1-phenacyl-4-triazol-1-iumolate IUPAC Name: 3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1-phenacyltriazol-1-ium-4-olate Traditional Name: 1-phenacyl-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O3/c1-17-8-12-20(13-9-17)26-24(31)23-25(32)29(21-14-10-18(2)11-15-21)27-28(23)16-22(30)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H-,26,27,31,32)