6-methyl-3-(4-methylsulfanylphenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 6-methyl-3-(4-methylsulfanylphenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Openeye Name: 6-methyl-3-(4-methylsulfanylphenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide CAS Name: 6-methyl-3-[4-(methylthio)phenyl]-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: 6-methyl-3-(4-methylsulfanylphenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Traditional Name: 6-methyl-3-[4-(methylthio)phenyl]-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Formula: C18H16F3N3O2S2 MolecularWeight: 427.46375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(F)(F)F)C2=CC=C(C=C2)SC)C3=CC=NN3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(F)(F)F)C2=CC=C(C=C2)SC)C3=CC=NN3)S(=O)(=O)N

InChI

InChI=1S/C18H16F3N3O2S2/c1-10-9-13(18(19,20)21)15(11-3-5-12(27-2)6-4-11)16(14-7-8-23-24-14)17(10)28(22,25)26/h3-9H,1-2H3,(H,23,24)(H2,22,25,26)