(2S)-3-(5-chloranylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanethioamide

Systemtic Name: (2S)-3-(5-chloranylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanethioamide Openeye Name: (2S)-3-(5-chloro-2-thienyl)-N-(2-furylmethyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-propanethioamide CAS Name: (2S)-3-(5-chloro-2-thiophenyl)-N-(2-furanylmethyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-oxopropanethioamide IUPAC Name: (2S)-3-(5-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxopropanethioamide Traditional Name: (2S)-3-(5-chloro-2-thienyl)-N-(2-furfuryl)-3-keto-2-(3-methylpyridin-1-ium-1-yl)thiopropionamide Formula: C18H16ClN2O2S2+ MolecularWeight: 391.91484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(C(=O)C2=CC=C(S2)Cl)C(=S)NCC3=CC=CO3

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@@H](C(=O)C2=CC=C(S2)Cl)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C18H15ClN2O2S2/c1-12-4-2-8-21(11-12)16(17(22)14-6-7-15(19)25-14)18(24)20-10-13-5-3-9-23-13/h2-9,11,16H,10H2,1H3/p+1/t16-/m0/s1