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

Systemtic Name: 1-(cyanomethyl)-3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-(cyanomethyl)-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate CAS Name: 1-(cyanomethyl)-5-[(4-methylanilino)-oxomethyl]-3-(4-methylphenyl)-4-triazol-1-iumolate IUPAC Name: 1-(cyanomethyl)-3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]triazol-1-ium-4-olate Traditional Name: 1-(cyanomethyl)-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate Formula: C19H17N5O2 MolecularWeight: 347.37058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O2/c1-13-3-7-15(8-4-13)21-18(25)17-19(26)24(22-23(17)12-11-20)16-9-5-14(2)6-10-16/h3-10H,12H2,1-2H3,(H-,21,22,25,26)