3-(2-bromophenyl)-N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanethioamide

Systemtic Name: 3-(2-bromophenyl)-N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxidanylidene-propanethioamide Openeye Name: 3-(2-bromophenyl)-N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxo-propanethioamide CAS Name: 3-(2-bromophenyl)-N-ethyl-2-(3-methyl-1-pyridin-1-iumyl)-3-oxopropanethioamide IUPAC Name: 3-(2-bromophenyl)-N-ethyl-2-(3-methylpyridin-1-ium-1-yl)-3-oxopropanethioamide Traditional Name: 3-(2-bromophenyl)-N-ethyl-3-keto-2-(3-methylpyridin-1-ium-1-yl)thiopropionamide Formula: C17H18BrN2OS+ MolecularWeight: 378.30662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)C(C(=O)C1=CC=CC=C1Br)[N+]2=CC=CC(=C2)C

Isomeric SMILES

CCNC(=S)C(C(=O)C1=CC=CC=C1Br)[N+]2=CC=CC(=C2)C

InChI

InChI=1S/C17H17BrN2OS/c1-3-19-17(22)15(20-10-6-7-12(2)11-20)16(21)13-8-4-5-9-14(13)18/h4-11,15H,3H2,1-2H3/p+1