2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-1-(4-iodophenyl)ethanone

Systemtic Name: 2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-1-(4-iodophenyl)ethanone Openeye Name: 2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-1-(4-iodophenyl)ethanone CAS Name: 2-[(1,3-dimethyl-2-imidazol-1-iumyl)thio]-1-(4-iodophenyl)ethanone IUPAC Name: 2-(1,3-dimethylimidazol-1-ium-2-yl)sulfanyl-1-(4-iodophenyl)ethanone Traditional Name: 2-[(1,3-dimethylimidazol-1-ium-2-yl)thio]-1-(4-iodophenyl)ethanone Formula: C13H14IN2OS+ MolecularWeight: 373.23253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1SCC(=O)C2=CC=C(C=C2)I)C

Isomeric SMILES

CN1C=C[N+](=C1SCC(=O)C2=CC=C(C=C2)I)C

InChI

InChI=1S/C13H14IN2OS/c1-15-7-8-16(2)13(15)18-9-12(17)10-3-5-11(14)6-4-10/h3-8H,9H2,1-2H3/q+1