S-phenyl 3-[2-oxidanylidene-3-(trifluoromethyl)pyridin-1-yl]propanethioate

Systemtic Name: S-phenyl 3-[2-oxidanylidene-3-(trifluoromethyl)pyridin-1-yl]propanethioate Openeye Name: S-phenyl 3-[2-oxo-3-(trifluoromethyl)-1-pyridyl]propanethioate CAS Name: 3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanethioic acid S-phenyl ester IUPAC Name: S-phenyl 3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanethioate Traditional Name: 3-[2-keto-3-(trifluoromethyl)-1-pyridyl]propanethioic acid S-phenyl ester Formula: C15H12F3NO2S MolecularWeight: 327.32149

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=O)CCN2C=CC=C(C2=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SC(=O)CCN2C=CC=C(C2=O)C(F)(F)F

InChI

InChI=1S/C15H12F3NO2S/c16-15(17,18)12-7-4-9-19(14(12)21)10-8-13(20)22-11-5-2-1-3-6-11/h1-7,9H,8,10H2