N-ethyl-3-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-propanimidothioate

Systemtic Name: N-ethyl-3-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-propanimidothioate Openeye Name: N-ethyl-3-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-propanimidothioate CAS Name: N-ethyl-3-(4-fluorophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxopropanimidothioate IUPAC Name: N-ethyl-3-(4-fluorophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxopropanimidothioate Traditional Name: N-ethyl-3-(4-fluorophenyl)-3-keto-2-(3-methylolpyridin-1-ium-1-yl)thiopropionimidate Formula: C17H17FN2O2S MolecularWeight: 332.392483

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(C(C(=O)C1=CC=C(C=C1)F)[N+]2=CC=CC(=C2)CO)[S-]

Isomeric SMILES

CCN=C(C(C(=O)C1=CC=C(C=C1)F)[N+]2=CC=CC(=C2)CO)[S-]

InChI

InChI=1S/C17H17FN2O2S/c1-2-19-17(23)15(20-9-3-4-12(10-20)11-21)16(22)13-5-7-14(18)8-6-13/h3-10,15,21H,2,11H2,1H3