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

Systemtic Name: 3-(2-cyanoethyl)-N,1-bis(4-methylphenyl)-5-oxidanylidene-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-(2-cyanoethyl)-5-oxo-N,1-bis(p-tolyl)-2H-triazol-3-ium-4-carboxamide CAS Name: 3-(2-cyanoethyl)-N,1-bis(4-methylphenyl)-5-oxo-2H-triazol-3-ium-4-carboxamide IUPAC Name: 3-(2-cyanoethyl)-N,1-bis(4-methylphenyl)-5-oxo-2H-triazol-3-ium-4-carboxamide Traditional Name: 3-(2-cyanoethyl)-5-keto-N,1-bis(p-tolyl)-2H-triazol-3-ium-4-carboxamide Formula: C20H20N5O2+ MolecularWeight: 362.4051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1