N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide Openeye Name: N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide CAS Name: N-[1-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide Traditional Name: N-[1-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide Formula: C12H10F6N4O2S2 MolecularWeight: 420.353819

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)SC

Isomeric SMILES

CN1C(=NC(=N1)NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)SC

InChI

InChI=1S/C12H10F6N4O2S2/c1-22-10(25-2)19-9(20-22)21-26(23,24)8-4-6(11(13,14)15)3-7(5-8)12(16,17)18/h3-5H,1-2H3,(H,20,21)