3-(3-bromophenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxidanylidene-propanethioamide

Systemtic Name: 3-(3-bromophenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxidanylidene-propanethioamide Openeye Name: 3-(3-bromophenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxo-propanethioamide CAS Name: 3-(3-bromophenyl)-2-(4-tert-butyl-1-pyridin-1-iumyl)-N-ethyl-3-oxopropanethioamide IUPAC Name: 3-(3-bromophenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-oxopropanethioamide Traditional Name: 3-(3-bromophenyl)-2-(4-tert-butylpyridin-1-ium-1-yl)-N-ethyl-3-keto-thiopropionamide Formula: C20H24BrN2OS+ MolecularWeight: 420.38636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2OS/c1-5-22-19(25)17(18(24)14-7-6-8-16(21)13-14)23-11-9-15(10-12-23)20(2,3)4/h6-13,17H,5H2,1-4H3/p+1