ethyl 1-(4-fluoranyl-3-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-fluoranyl-3-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-fluoro-3-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 1-(4-fluoro-3-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluoro-3-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 1-(4-fluoro-3-methoxy-phenyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H19FN2O5S MolecularWeight: 418.438663

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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=CC(=C(C=C3)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN2O5S/c1-4-28-20(24)17-12-18(13-5-8-15(9-6-13)29(3,25)26)23(22-17)14-7-10-16(21)19(11-14)27-2/h5-12H,4H2,1-3H3