methyl 5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: methyl 5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: methyl 5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-methylsulfonylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-(4-mesylphenyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid methyl ester Formula: C19H15F3N2O4S MolecularWeight: 424.39361

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H15F3N2O4S/c1-28-18(25)16-11-17(12-3-9-15(10-4-12)29(2,26)27)24(23-16)14-7-5-13(6-8-14)19(20,21)22/h3-11H,1-2H3