3-(5-chloranylthiophen-2-yl)-N-ethyl-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-N-ethyl-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: 3-(5-chloro-2-thienyl)-N-ethyl-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-(5-chloro-2-thiophenyl)-N-ethyl-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: 3-(5-chlorothiophen-2-yl)-N-ethyl-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: 3-(5-chloro-2-thienyl)-N-ethyl-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C14H14ClN2OS2+ MolecularWeight: 325.85676

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)C1=CC=C(S1)Cl)[N+]2=CC=CC=C2

Isomeric SMILES

CCNC(=S)C(C(=O)C1=CC=C(S1)Cl)[N+]2=CC=CC=C2

InChI

InChI=1S/C14H13ClN2OS2/c1-2-16-14(19)12(17-8-4-3-5-9-17)13(18)10-6-7-11(15)20-10/h3-9,12H,2H2,1H3/p+1