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

Systemtic Name: (2R)-3-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-N-(phenylmethyl)propanimidothioate Openeye Name: (2R)-N-benzyl-3-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-propanimidothioate CAS Name: (2R)-3-(3-chlorophenyl)-2-(3-methyl-1-pyridin-1-iumyl)-3-oxo-N-(phenylmethyl)propanimidothioate IUPAC Name: (2R)-N-benzyl-3-(3-chlorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-oxopropanimidothioate Traditional Name: (2R)-N-benzyl-3-(3-chlorophenyl)-3-keto-2-(3-methylpyridin-1-ium-1-yl)thiopropionimidate Formula: C22H19ClN2OS MolecularWeight: 394.91706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2OS/c1-16-7-6-12-25(15-16)20(21(26)18-10-5-11-19(23)13-18)22(27)24-14-17-8-3-2-4-9-17/h2-13,15,20H,14H2,1H3/t20-/m1/s1