ethyl 1-(4-fluorophenyl)-4-(phenylsulfonyl)-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-fluorophenyl)-4-(phenylsulfonyl)-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: ethyl 4-(benzenesulfonyl)-1-(4-fluorophenyl)-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 4-(benzenesulfonyl)-1-(4-fluorophenyl)-5-thiophen-2-yl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzenesulfonyl)-1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 4-besyl-1-(4-fluorophenyl)-5-(2-thienyl)pyrazole-3-carboxylic acid ethyl ester Formula: C22H17FN2O4S2 MolecularWeight: 456.509783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN2O4S2/c1-2-29-22(26)19-21(31(27,28)17-7-4-3-5-8-17)20(18-9-6-14-30-18)25(24-19)16-12-10-15(23)11-13-16/h3-14H,2H2,1H3