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

Systemtic Name: 3-(cyanomethyl)-5-oxidanylidene-N,1-diphenyl-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-(cyanomethyl)-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide CAS Name: 3-(cyanomethyl)-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide IUPAC Name: 3-(cyanomethyl)-5-oxo-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide Traditional Name: 3-(cyanomethyl)-5-keto-N,1-diphenyl-2H-triazol-3-ium-4-carboxamide Formula: C17H14N5O2+ MolecularWeight: 320.32536

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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)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5O2/c18-11-12-21-15(16(23)19-13-7-3-1-4-8-13)17(24)22(20-21)14-9-5-2-6-10-14/h1-10H,12H2,(H-,19,20,23,24)/p+1