1-(3-bromophenyl)-2-(2,6-dimethylpyrylium-4-yl)sulfanyl-ethanone bromide

Systemtic Name: 1-(3-bromophenyl)-2-(2,6-dimethylpyrylium-4-yl)sulfanyl-ethanone bromide Openeye Name: 1-(3-bromophenyl)-2-(2,6-dimethylpyrylium-4-yl)sulfanyl-ethanone bromide CAS Name: 1-(3-bromophenyl)-2-[(2,6-dimethyl-4-pyryliumyl)thio]ethanone bromide IUPAC Name: 1-(3-bromophenyl)-2-(2,6-dimethylpyrylium-4-yl)sulfanylethanone bromide Traditional Name: 1-(3-bromophenyl)-2-[(2,6-dimethylpyrylium-4-yl)thio]ethanone bromide Formula: C15H14Br2O2S MolecularWeight: 418.14346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[O+]1)C)SCC(=O)C2=CC(=CC=C2)Br.[Br-]

Isomeric SMILES

CC1=CC(=CC(=[O+]1)C)SCC(=O)C2=CC(=CC=C2)Br.[Br-]

InChI

InChI=1S/C15H14BrO2S.BrH/c1-10-6-14(7-11(2)18-10)19-9-15(17)12-4-3-5-13(16)8-12;/h3-8H,9H2,1-2H3;1H/q+1;/p-1