3-(cyanomethyl)-N,1-bis(4-methylphenyl)-5-oxidanylidene-2H-1,2,3-triazol-3-ium-4-carboxamide

Systemtic Name: 3-(cyanomethyl)-N,1-bis(4-methylphenyl)-5-oxidanylidene-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-(cyanomethyl)-5-oxo-N,1-bis(p-tolyl)-2H-triazol-3-ium-4-carboxamide CAS Name: 3-(cyanomethyl)-N,1-bis(4-methylphenyl)-5-oxo-2H-triazol-3-ium-4-carboxamide IUPAC Name: 3-(cyanomethyl)-N,1-bis(4-methylphenyl)-5-oxo-2H-triazol-3-ium-4-carboxamide Traditional Name: 3-(cyanomethyl)-5-keto-N,1-bis(p-tolyl)-2H-triazol-3-ium-4-carboxamide Formula: C19H18N5O2+ MolecularWeight: 348.37852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1