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

Systemtic Name: [4-(4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate Openeye Name: [4-(4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate CAS Name: butanoic acid [3-(4-methylsulfonylphenyl)-4-[4-(methylthio)phenyl]-5-(trifluoromethyl)-1-pyrazolyl] ester IUPAC Name: [4-(4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate Traditional Name: butyric acid [3-(4-mesylphenyl)-4-[4-(methylthio)phenyl]-5-(trifluoromethyl)pyrazol-1-yl] ester Formula: C22H21F3N2O4S2 MolecularWeight: 498.53835

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)SC)C(F)(F)F

Isomeric SMILES

CCCC(=O)ON1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)SC)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O4S2/c1-4-5-18(28)31-27-21(22(23,24)25)19(14-6-10-16(32-2)11-7-14)20(26-27)15-8-12-17(13-9-15)33(3,29)30/h6-13H,4-5H2,1-3H3