2-[4-(4-methylsulfanylphenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanoate

Systemtic Name: 2-[4-(4-methylsulfanylphenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanoate Openeye Name: 2-[4-(4-methylsulfanylphenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetate CAS Name: 2-[4-[4-(methylthio)phenyl]-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1-pyrazolyl]acetate IUPAC Name: 2-[4-(4-methylsulfanylphenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetate Traditional Name: 2-[4-[4-(methylthio)phenyl]-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetate Formula: C19H15F3N3O4S2- MolecularWeight: 470.46531

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC(=O)[O-])C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H16F3N3O4S2/c1-30-13-6-2-11(3-7-13)16-17(12-4-8-14(9-5-12)31(23,28)29)24-25(10-15(26)27)18(16)19(20,21)22/h2-9H,10H2,1H3,(H,26,27)(H2,23,28,29)/p-1