2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-(2-oxidanylidene-2-thiophen-2-yl-ethoxy)pyrazol-1-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-(2-oxidanylidene-2-thiophen-2-yl-ethoxy)pyrazol-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-[2-oxo-2-(2-thienyl)ethoxy]pyrazol-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-(2-oxo-2-thiophen-2-ylethoxy)-1-pyrazolyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-(2-oxo-2-thiophen-2-ylethoxy)pyrazol-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[4-(4-fluorophenyl)-3-[2-keto-2-(2-thienyl)ethoxy]-5-(4-mesylphenyl)pyrazol-1-yl]-1-(2-thienyl)ethanone Formula: C28H21FN2O5S3 MolecularWeight: 580.670143

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=NN2CC(=O)C3=CC=CS3)OCC(=O)C4=CC=CS4)C5=CC=C(C=C5)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=NN2CC(=O)C3=CC=CS3)OCC(=O)C4=CC=CS4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H21FN2O5S3/c1-39(34,35)21-12-8-19(9-13-21)27-26(18-6-10-20(29)11-7-18)28(36-17-23(33)25-5-3-15-38-25)30-31(27)16-22(32)24-4-2-14-37-24/h2-15H,16-17H2,1H3