4-[5-(3-methyl-4-methylsulfanyl-phenyl)-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonamide

Systemtic Name: 4-[5-(3-methyl-4-methylsulfanyl-phenyl)-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonamide Openeye Name: 4-[5-(3-methyl-4-methylsulfanyl-phenyl)-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonamide CAS Name: 4-[5-[3-methyl-4-(methylthio)phenyl]-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonamide IUPAC Name: 4-[5-(3-methyl-4-methylsulfanylphenyl)-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonamide Traditional Name: 4-[3-[3-methyl-4-(methylthio)phenyl]-3-(trifluoromethyl)-3-pyrazolin-1-yl]benzenesulfonamide Formula: C18H18F3N3O2S2 MolecularWeight: 429.47963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2(C=CN(N2)C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)SC

Isomeric SMILES

CC1=C(C=CC(=C1)C2(C=CN(N2)C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)SC

InChI

InChI=1S/C18H18F3N3O2S2/c1-12-11-13(3-8-16(12)27-2)17(18(19,20)21)9-10-24(23-17)14-4-6-15(7-5-14)28(22,25)26/h3-11,23H,1-2H3,(H2,22,25,26)