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

Systemtic Name: ethyl 1-(4-fluoranyl-3-methyl-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-fluoro-3-methyl-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 1-(4-fluoro-3-methyl-phenyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN2O4S/c1-4-27-20(24)18-12-19(14-5-8-16(9-6-14)28(3,25)26)23(22-18)15-7-10-17(21)13(2)11-15/h5-12H,4H2,1-3H3