4-[[[4-methyl-3-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[2,2,2-tris(fluoranyl)ethyl]amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[4-methyl-3-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[2,2,2-tris(fluoranyl)ethyl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[4-methyl-3-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(2,2,2-trifluoroethyl)amino]methyl]benzenesulfonamide CAS Name: 4-[[[4-methyl-3-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(2,2,2-trifluoroethyl)amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[4-methyl-3-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-(2,2,2-trifluoroethyl)amino]methyl]benzenesulfonamide Traditional Name: 4-[[[4-methyl-3-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(2,2,2-trifluoroethyl)amino]methyl]benzenesulfonamide Formula: C20H22F3N5O2S2 MolecularWeight: 485.54619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)N2C)CN(CC3=CC=C(C=C3)S(=O)(=O)N)CC(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)N2C)CN(CC3=CC=C(C=C3)S(=O)(=O)N)CC(F)(F)F

InChI

InChI=1S/C20H22F3N5O2S2/c1-14-3-7-16(8-4-14)18-25-28(19(31)26(18)2)13-27(12-20(21,22)23)11-15-5-9-17(10-6-15)32(24,29)30/h3-10H,11-13H2,1-2H3,(H2,24,29,30)