N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-3-thiophen-2-yl-propanethioamide

Systemtic Name: N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-3-thiophen-2-yl-propanethioamide Openeye Name: N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-3-(2-thienyl)propanethioamide CAS Name: N-ethyl-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxo-3-thiophen-2-ylpropanethioamide IUPAC Name: N-ethyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-3-thiophen-2-ylpropanethioamide Traditional Name: N-ethyl-3-keto-2-(3-methylolpyridin-1-ium-1-yl)-3-(2-thienyl)thiopropionamide Formula: C15H17N2O2S2+ MolecularWeight: 321.43768

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)C1=CC=CS1)[N+]2=CC=CC(=C2)CO

Isomeric SMILES

CCNC(=S)C(C(=O)C1=CC=CS1)[N+]2=CC=CC(=C2)CO

InChI

InChI=1S/C15H16N2O2S2/c1-2-16-15(20)13(14(19)12-6-4-8-21-12)17-7-3-5-11(9-17)10-18/h3-9,13,18H,2,10H2,1H3/p+1