N,4-dimethyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxamide; tris(fluoranyl)methanesulfonate

Systemtic Name: N,4-dimethyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: N,4-dimethyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxamide; trifluoromethanesulfonate CAS Name: N,4-dimethyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxamide; trifluoromethanesulfonate IUPAC Name: N,4-dimethyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxamide; trifluoromethanesulfonate Traditional Name: N,4-dimethyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-carboxamide triflate Formula: C18H17F3N4O4S MolecularWeight: 442.41219

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CNC(=O)C1=NN(C(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H16N4O.CHF3O3S/c1-18-16(22)15-19-21(14-11-7-4-8-12-14)17(20(15)2)13-9-5-3-6-10-13;2-1(3,4)8(5,6)7/h3-12H,1-2H3;(H,5,6,7)