(2S)-N-ethyl-3-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanimidothioate

Systemtic Name: (2S)-N-ethyl-3-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanimidothioate Openeye Name: (2S)-N-ethyl-3-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-propanimidothioate CAS Name: (2S)-N-ethyl-3-(4-ethylphenyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-oxopropanimidothioate IUPAC Name: (2S)-N-ethyl-3-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxopropanimidothioate Traditional Name: (2S)-N-ethyl-3-(4-ethylphenyl)-3-keto-2-(3-methylpyridin-1-ium-1-yl)thiopropionimidate Formula: C19H22N2OS MolecularWeight: 326.45578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C(=NCC)[S-])[N+]2=CC=CC(=C2)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@@H](C(=NCC)[S-])[N+]2=CC=CC(=C2)C

InChI

InChI=1S/C19H22N2OS/c1-4-15-8-10-16(11-9-15)18(22)17(19(23)20-5-2)21-12-6-7-14(3)13-21/h6-13,17H,4-5H2,1-3H3/t17-/m0/s1