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

Systemtic Name: 2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-3-thiophen-2-yl-propanethioamide Openeye Name: N-allyl-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-3-(2-thienyl)propanethioamide CAS Name: 2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-oxo-N-prop-2-enyl-3-thiophen-2-ylpropanethioamide IUPAC Name: 2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-oxo-N-prop-2-enyl-3-thiophen-2-ylpropanethioamide Traditional Name: N-allyl-3-keto-2-(3-methylolpyridin-1-ium-1-yl)-3-(2-thienyl)thiopropionamide Formula: C16H17N2O2S2+ MolecularWeight: 333.44838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S2/c1-2-7-17-16(21)14(15(20)13-6-4-9-22-13)18-8-3-5-12(10-18)11-19/h2-6,8-10,14,19H,1,7,11H2/p+1