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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)SC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)SC

InChI

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