[3-(3-cyclopentylphenyl)-5-[3-(2-fluoranylethylsulfanyl)phenyl]-4-sulfanylidene-pyridin-1-yl] ethanoate

Systemtic Name: [3-(3-cyclopentylphenyl)-5-[3-(2-fluoranylethylsulfanyl)phenyl]-4-sulfanylidene-pyridin-1-yl] ethanoate Openeye Name: [3-(3-cyclopentylphenyl)-5-[3-(2-fluoroethylsulfanyl)phenyl]-4-thioxo-1-pyridyl] acetate CAS Name: acetic acid [3-(3-cyclopentylphenyl)-5-[3-(2-fluoroethylthio)phenyl]-4-sulfanylidene-1-pyridinyl] ester IUPAC Name: [3-(3-cyclopentylphenyl)-5-[3-(2-fluoroethylsulfanyl)phenyl]-4-sulfanylidenepyridin-1-yl] acetate Traditional Name: acetic acid [3-(3-cyclopentylphenyl)-5-[3-(2-fluoroethylthio)phenyl]-4-thioxo-1-pyridyl] ester Formula: C26H26FNO2S2 MolecularWeight: 467.618543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON1C=C(C(=S)C(=C1)C2=CC(=CC=C2)SCCF)C3=CC(=CC=C3)C4CCCC4

Isomeric SMILES

CC(=O)ON1C=C(C(=S)C(=C1)C2=CC(=CC=C2)SCCF)C3=CC(=CC=C3)C4CCCC4

InChI

InChI=1S/C26H26FNO2S2/c1-18(29)30-28-16-24(21-9-4-8-20(14-21)19-6-2-3-7-19)26(31)25(17-28)22-10-5-11-23(15-22)32-13-12-27/h4-5,8-11,14-17,19H,2-3,6-7,12-13H2,1H3