ethyl 1-[2,4-bis(fluoranyl)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[2,4-bis(fluoranyl)phenyl]-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,4-difluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 1-(2,4-difluorophenyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C19H16F2N2O4S MolecularWeight: 406.403146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F2N2O4S/c1-3-27-19(24)16-11-18(12-4-7-14(8-5-12)28(2,25)26)23(22-16)17-9-6-13(20)10-15(17)21/h4-11H,3H2,1-2H3