4-(3-chloranyl-4-methylsulfanyl-phenyl)-2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 4-(3-chloranyl-4-methylsulfanyl-phenyl)-2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)benzenesulfonamide Openeye Name: 4-(3-chloro-4-methylsulfanyl-phenyl)-2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)benzenesulfonamide CAS Name: 4-[3-chloro-4-(methylthio)phenyl]-2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)benzenesulfonamide IUPAC Name: 4-(3-chloro-4-methylsulfanylphenyl)-2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)benzenesulfonamide Traditional Name: 4-[3-chloro-4-(methylthio)phenyl]-2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)benzenesulfonamide Formula: C17H13ClF3N3O2S2 MolecularWeight: 447.88223

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C2=CC(=C(C=C2C(F)(F)F)S(=O)(=O)N)C3=CC=NN3)Cl

Isomeric SMILES

CSC1=C(C=C(C=C1)C2=CC(=C(C=C2C(F)(F)F)S(=O)(=O)N)C3=CC=NN3)Cl

InChI

InChI=1S/C17H13ClF3N3O2S2/c1-27-15-3-2-9(6-13(15)18)10-7-11(14-4-5-23-24-14)16(28(22,25)26)8-12(10)17(19,20)21/h2-8H,1H3,(H,23,24)(H2,22,25,26)