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

Systemtic Name: 2-(2,6-dimethylpyrylium-4-yl)sulfanyl-1-phenyl-ethanone bromide Openeye Name: 2-(2,6-dimethylpyrylium-4-yl)sulfanyl-1-phenyl-ethanone bromide CAS Name: 2-[(2,6-dimethyl-4-pyryliumyl)thio]-1-phenylethanone bromide IUPAC Name: 2-(2,6-dimethylpyrylium-4-yl)sulfanyl-1-phenylethanone bromide Traditional Name: 2-[(2,6-dimethylpyrylium-4-yl)thio]-1-phenyl-ethanone bromide Formula: C15H15BrO2S MolecularWeight: 339.2474

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-]

Isomeric SMILES

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

InChI

InChI=1S/C15H15O2S.BrH/c1-11-8-14(9-12(2)17-11)18-10-15(16)13-6-4-3-5-7-13;/h3-9H,10H2,1-2H3;1H/q+1;/p-1