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

Systemtic Name: 1-(2-cyanoethyl)-3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-(2-cyanoethyl)-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate CAS Name: 1-(2-cyanoethyl)-5-[(4-methylanilino)-oxomethyl]-3-(4-methylphenyl)-4-triazol-1-iumolate IUPAC Name: 1-(2-cyanoethyl)-3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]triazol-1-ium-4-olate Traditional Name: 1-(2-cyanoethyl)-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2/c1-14-4-8-16(9-5-14)22-19(26)18-20(27)25(23-24(18)13-3-12-21)17-10-6-15(2)7-11-17/h4-11H,3,13H2,1-2H3,(H-,22,23,26,27)