3-(5-chloranylthiophen-2-yl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-(phenylmethyl)propanethioamide

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-(phenylmethyl)propanethioamide Openeye Name: N-benzyl-3-(5-chloro-2-thienyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-propanethioamide CAS Name: 3-(5-chloro-2-thiophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxo-N-(phenylmethyl)propanethioamide IUPAC Name: N-benzyl-3-(5-chlorothiophen-2-yl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxopropanethioamide Traditional Name: N-benzyl-3-(5-chloro-2-thienyl)-3-keto-2-(3-methylolpyridin-1-ium-1-yl)thiopropionamide Formula: C20H18ClN2O2S2+ MolecularWeight: 417.95212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC(=C3)CO

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC(=C3)CO

InChI

InChI=1S/C20H17ClN2O2S2/c21-17-9-8-16(27-17)19(25)18(23-10-4-7-15(12-23)13-24)20(26)22-11-14-5-2-1-3-6-14/h1-10,12,18,24H,11,13H2/p+1