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

Systemtic Name: 2-(2,6-dimethylpyrylium-4-yl)sulfanyl-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-(2,6-dimethylpyrylium-4-yl)sulfanyl-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-[(2,6-dimethyl-4-pyryliumyl)thio]-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-(2,6-dimethylpyrylium-4-yl)sulfanyl-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-[(2,6-dimethylpyrylium-4-yl)thio]-1-(4-phenylphenyl)ethanone bromide Formula: C21H19BrO2S MolecularWeight: 415.34336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[O+]1)C)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=CC(=CC(=[O+]1)C)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H19O2S.BrH/c1-15-12-20(13-16(2)23-15)24-14-21(22)19-10-8-18(9-11-19)17-6-4-3-5-7-17;/h3-13H,14H2,1-2H3;1H/q+1;/p-1