methyl 2-ethyl-4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 2-ethyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 2-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 2-ethyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C21H21FN2O5S MolecularWeight: 432.465243

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)OC)F)C(=O)OC

Isomeric SMILES

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)OC)F)C(=O)OC

InChI

InChI=1S/C21H21FN2O5S/c1-5-24-20(21(25)29-3)18(14-8-11-17(28-2)16(22)12-14)19(23-24)13-6-9-15(10-7-13)30(4,26)27/h6-12H,5H2,1-4H3