3-(4-chlorophenyl)-N-ethyl-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: 3-(4-chlorophenyl)-N-ethyl-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: 3-(4-chlorophenyl)-N-ethyl-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-(4-chlorophenyl)-N-ethyl-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: 3-(4-chlorophenyl)-N-ethyl-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: 3-(4-chlorophenyl)-N-ethyl-3-keto-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C16H16ClN2OS+ MolecularWeight: 319.82904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2OS/c1-2-18-16(21)14(19-10-4-3-5-11-19)15(20)12-6-8-13(17)9-7-12/h3-11,14H,2H2,1H3/p+1