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

Systemtic Name: 3-(2-cyanoethyl)-5-oxidanylidene-N,1-diphenyl-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-(2-cyanoethyl)-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide CAS Name: 3-(2-cyanoethyl)-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide IUPAC Name: 3-(2-cyanoethyl)-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide Traditional Name: 3-(2-cyanoethyl)-5-keto-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide Formula: C18H16N5O2+ MolecularWeight: 334.35194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O2/c19-12-7-13-22-16(17(24)20-14-8-3-1-4-9-14)18(25)23(21-22)15-10-5-2-6-11-15/h1-6,8-11H,7,13H2,(H-,20,21,24,25)/p+1