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

Systemtic Name: 2-[4-(4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanoate Openeye Name: 2-[4-(4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetate CAS Name: 2-[3-(4-methylsulfonylphenyl)-4-[4-(methylthio)phenyl]-5-(trifluoromethyl)-1-pyrazolyl]acetate IUPAC Name: 2-[4-(4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetate Traditional Name: 2-[3-(4-mesylphenyl)-4-[4-(methylthio)phenyl]-5-(trifluoromethyl)pyrazol-1-yl]acetate Formula: C20H16F3N2O4S2- MolecularWeight: 469.47725

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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)C)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)C)CC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H17F3N2O4S2/c1-30-14-7-3-12(4-8-14)17-18(13-5-9-15(10-6-13)31(2,28)29)24-25(11-16(26)27)19(17)20(21,22)23/h3-10H,11H2,1-2H3,(H,26,27)/p-1