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

Systemtic Name: 3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1-(2-oxidanylidenepropyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-acetonyl-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate CAS Name: 5-[(4-methylanilino)-oxomethyl]-3-(4-methylphenyl)-1-(2-oxopropyl)-4-triazol-1-iumolate IUPAC Name: 3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1-(2-oxopropyl)triazol-1-ium-4-olate Traditional Name: 1-acetonyl-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3/c1-13-4-8-16(9-5-13)21-19(26)18-20(27)24(22-23(18)12-15(3)25)17-10-6-14(2)7-11-17/h4-11H,12H2,1-3H3,(H-,21,22,26,27)