(2R)-3-(5-chloranylthiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-N-(phenylmethyl)propanimidothioate

Systemtic Name: (2R)-3-(5-chloranylthiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-N-(phenylmethyl)propanimidothioate Openeye Name: (2R)-N-benzyl-3-(5-chloro-2-thienyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-propanimidothioate CAS Name: (2R)-3-(5-chloro-2-thiophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-oxo-N-(phenylmethyl)propanimidothioate IUPAC Name: (2R)-N-benzyl-3-(5-chlorothiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxopropanimidothioate Traditional Name: (2R)-N-benzyl-3-(5-chloro-2-thienyl)-3-keto-2-(3-methylpyridin-1-ium-1-yl)thiopropionimidate Formula: C20H17ClN2OS2 MolecularWeight: 400.94478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(C(=O)C2=CC=C(S2)Cl)C(=NCC3=CC=CC=C3)[S-]

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@H](C(=O)C2=CC=C(S2)Cl)C(=NCC3=CC=CC=C3)[S-]

InChI

InChI=1S/C20H17ClN2OS2/c1-14-6-5-11-23(13-14)18(19(24)16-9-10-17(21)26-16)20(25)22-12-15-7-3-2-4-8-15/h2-11,13,18H,12H2,1H3/t18-/m1/s1