(2R)-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanimidothioate

Systemtic Name: (2R)-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanimidothioate Openeye Name: (2R)-3-(2-chlorophenyl)-N-(2-furylmethyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-propanimidothioate CAS Name: (2R)-3-(2-chlorophenyl)-N-(2-furanylmethyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-oxopropanimidothioate IUPAC Name: (2R)-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxopropanimidothioate Traditional Name: (2R)-3-(2-chlorophenyl)-N-(2-furfuryl)-3-keto-2-(3-methylpyridin-1-ium-1-yl)thiopropionimidate Formula: C20H17ClN2O2S MolecularWeight: 384.87918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(C(=O)C2=CC=CC=C2Cl)C(=NCC3=CC=CO3)[S-]

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@H](C(=O)C2=CC=CC=C2Cl)C(=NCC3=CC=CO3)[S-]

InChI

InChI=1S/C20H17ClN2O2S/c1-14-6-4-10-23(13-14)18(19(24)16-8-2-3-9-17(16)21)20(26)22-12-15-7-5-11-25-15/h2-11,13,18H,12H2,1H3/t18-/m1/s1