S-[1-oxidanidyl-4-(trifluoromethyl)pyridin-1-ium-2-yl] ethanethioate

Systemtic Name: S-[1-oxidanidyl-4-(trifluoromethyl)pyridin-1-ium-2-yl] ethanethioate Openeye Name: S-[1-oxido-4-(trifluoromethyl)pyridin-1-ium-2-yl] ethanethioate CAS Name: ethanethioic acid S-[1-oxido-4-(trifluoromethyl)-2-pyridin-1-iumyl] ester IUPAC Name: S-[1-oxido-4-(trifluoromethyl)pyridin-1-ium-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-oxido-4-(trifluoromethyl)pyridin-1-ium-2-yl] ester Formula: C8H6F3NO2S MolecularWeight: 237.19895

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=[N+](C=CC(=C1)C(F)(F)F)[O-]

Isomeric SMILES

CC(=O)SC1=[N+](C=CC(=C1)C(F)(F)F)[O-]

InChI

InChI=1S/C8H6F3NO2S/c1-5(13)15-7-4-6(8(9,10)11)2-3-12(7)14/h2-4H,1H3