(2S)-3-(5-chloranylthiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate

Systemtic Name: (2S)-3-(5-chloranylthiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: (2S)-N-allyl-3-(5-chloro-2-thienyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-propanimidothioate CAS Name: (2S)-3-(5-chloro-2-thiophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: (2S)-3-(5-chlorothiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: (2S)-N-allyl-3-(5-chloro-2-thienyl)-3-keto-2-(3-methylpyridin-1-ium-1-yl)thiopropionimidate Formula: C16H15ClN2OS2 MolecularWeight: 350.8861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(C(=O)C2=CC=C(S2)Cl)C(=NCC=C)[S-]

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@@H](C(=O)C2=CC=C(S2)Cl)C(=NCC=C)[S-]

InChI

InChI=1S/C16H15ClN2OS2/c1-3-8-18-16(21)14(19-9-4-5-11(2)10-19)15(20)12-6-7-13(17)22-12/h3-7,9-10,14H,1,8H2,2H3/t14-/m0/s1