[3-(phenylsulfonyl)-4-sulfanylidene-5-[4-(trifluoromethyl)phenyl]pyridin-1-yl] ethanoate

Systemtic Name: [3-(phenylsulfonyl)-4-sulfanylidene-5-[4-(trifluoromethyl)phenyl]pyridin-1-yl] ethanoate Openeye Name: [3-(benzenesulfonyl)-4-thioxo-5-[4-(trifluoromethyl)phenyl]-1-pyridyl] acetate CAS Name: acetic acid [3-(benzenesulfonyl)-4-sulfanylidene-5-[4-(trifluoromethyl)phenyl]-1-pyridinyl] ester IUPAC Name: [3-(benzenesulfonyl)-4-sulfanylidene-5-[4-(trifluoromethyl)phenyl]pyridin-1-yl] acetate Traditional Name: acetic acid [3-besyl-4-thioxo-5-[4-(trifluoromethyl)phenyl]-1-pyridyl] ester Formula: C20H14F3NO4S2 MolecularWeight: 453.45467

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON1C=C(C(=S)C(=C1)S(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(=O)ON1C=C(C(=S)C(=C1)S(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H14F3NO4S2/c1-13(25)28-24-11-17(14-7-9-15(10-8-14)20(21,22)23)19(29)18(12-24)30(26,27)16-5-3-2-4-6-16/h2-12H,1H3