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

Systemtic Name: ethyl 1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-5-(5-methylsulfonyl-2-thienyl)pyrazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-(5-methylsulfonyl-2-thiophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-(5-mesyl-2-thienyl)pyrazole-3-carboxylic acid ethyl ester Formula: C17H15FN2O4S2 MolecularWeight: 394.440403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(S2)S(=O)(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(S2)S(=O)(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN2O4S2/c1-3-24-17(21)13-10-14(15-8-9-16(25-15)26(2,22)23)20(19-13)12-6-4-11(18)5-7-12/h4-10H,3H2,1-2H3