(2S)-3-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate

Systemtic Name: (2S)-3-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: (2S)-N-allyl-3-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-propanimidothioate CAS Name: (2S)-3-(4-fluorophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: (2S)-3-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: (2S)-N-allyl-3-(4-fluorophenyl)-3-keto-2-(3-methylpyridin-1-ium-1-yl)thiopropionimidate Formula: C18H17FN2OS MolecularWeight: 328.403783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(C(=O)C2=CC=C(C=C2)F)C(=NCC=C)[S-]

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@@H](C(=O)C2=CC=C(C=C2)F)C(=NCC=C)[S-]

InChI

InChI=1S/C18H17FN2OS/c1-3-10-20-18(23)16(21-11-4-5-13(2)12-21)17(22)14-6-8-15(19)9-7-14/h3-9,11-12,16H,1,10H2,2H3/t16-/m0/s1