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

Systemtic Name: 6-ethyl-3-(4-methylsulfanylphenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Openeye Name: 6-ethyl-3-(4-methylsulfanylphenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide CAS Name: 6-ethyl-3-[4-(methylthio)phenyl]-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: 6-ethyl-3-(4-methylsulfanylphenyl)-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Traditional Name: 6-ethyl-3-[4-(methylthio)phenyl]-2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)benzenesulfonamide Formula: C19H18F3N3O2S2 MolecularWeight: 441.49033

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1)C(F)(F)F)C2=CC=C(C=C2)SC)C3=CC=NN3)S(=O)(=O)N

Isomeric SMILES

CCC1=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/C19H18F3N3O2S2/c1-3-11-10-14(19(20,21)22)16(12-4-6-13(28-2)7-5-12)17(15-8-9-24-25-15)18(11)29(23,26)27/h4-10H,3H2,1-2H3,(H,24,25)(H2,23,26,27)