5-ethyl-1-(4-nitrophenyl)-2-phenyl-3-(trifluoromethyl)-1,2,4-triazol-2-ium

Systemtic Name: 5-ethyl-1-(4-nitrophenyl)-2-phenyl-3-(trifluoromethyl)-1,2,4-triazol-2-ium Openeye Name: 5-ethyl-1-(4-nitrophenyl)-2-phenyl-3-(trifluoromethyl)-1,2,4-triazol-2-ium CAS Name: 5-ethyl-1-(4-nitrophenyl)-2-phenyl-3-(trifluoromethyl)-1,2,4-triazol-2-ium IUPAC Name: 5-ethyl-1-(4-nitrophenyl)-2-phenyl-3-(trifluoromethyl)-1,2,4-triazol-2-ium Traditional Name: 5-ethyl-1-(4-nitrophenyl)-2-phenyl-3-(trifluoromethyl)-1,2,4-triazol-2-ium Formula: C17H14F3N4O2+ MolecularWeight: 363.31387

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=[N+](N1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCC1=NC(=[N+](N1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H14F3N4O2/c1-2-15-21-16(17(18,19)20)23(12-6-4-3-5-7-12)22(15)13-8-10-14(11-9-13)24(25)26/h3-11H,2H2,1H3/q+1