2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1H-1,2,4-triazol-2-ium-3-amine

Systemtic Name: 2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1H-1,2,4-triazol-2-ium-3-amine Openeye Name: 2-(p-tolylsulfonyl)-5-(trifluoromethyl)-1H-1,2,4-triazol-2-ium-3-amine CAS Name: 2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1H-1,2,4-triazol-2-ium-3-amine IUPAC Name: 2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1H-1,2,4-triazol-2-ium-3-amine Traditional Name: [2-tosyl-5-(trifluoromethyl)-1H-1,2,4-triazol-2-ium-3-yl]amine Formula: C10H10F3N4O2S+ MolecularWeight: 307.27221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+]2=C(N=C(N2)C(F)(F)F)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+]2=C(N=C(N2)C(F)(F)F)N

InChI

InChI=1S/C10H9F3N4O2S/c1-6-2-4-7(5-3-6)20(18,19)17-9(14)15-8(16-17)10(11,12)13/h2-5H,1H3,(H2,14,15,16)/p+1