S-phenyl 3-[[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]benzenecarbothioate

Systemtic Name: S-phenyl 3-[[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]benzenecarbothioate Openeye Name: S-phenyl 3-[[2-oxo-5-(trifluoromethyl)-1-pyridyl]methyl]benzenecarbothioate CAS Name: 3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 3-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]benzenecarbothioate Traditional Name: 3-[[2-keto-5-(trifluoromethyl)-1-pyridyl]methyl]thiobenzoic acid S-phenyl ester Formula: C20H14F3NO2S MolecularWeight: 389.39087

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=O)C2=CC(=CC=C2)CN3C=C(C=CC3=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SC(=O)C2=CC(=CC=C2)CN3C=C(C=CC3=O)C(F)(F)F

InChI

InChI=1S/C20H14F3NO2S/c21-20(22,23)16-9-10-18(25)24(13-16)12-14-5-4-6-15(11-14)19(26)27-17-7-2-1-3-8-17/h1-11,13H,12H2