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

Systemtic Name: 2-(2,6-dimethylpyrylium-4-yl)sulfanyl-1-(2-nitrophenyl)ethanone bromide Openeye Name: 2-(2,6-dimethylpyrylium-4-yl)sulfanyl-1-(2-nitrophenyl)ethanone bromide CAS Name: 2-[(2,6-dimethyl-4-pyryliumyl)thio]-1-(2-nitrophenyl)ethanone bromide IUPAC Name: 2-(2,6-dimethylpyrylium-4-yl)sulfanyl-1-(2-nitrophenyl)ethanone bromide Traditional Name: 2-[(2,6-dimethylpyrylium-4-yl)thio]-1-(2-nitrophenyl)ethanone bromide Formula: C15H14BrNO4S MolecularWeight: 384.24496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14NO4S.BrH/c1-10-7-12(8-11(2)20-10)21-9-15(17)13-5-3-4-6-14(13)16(18)19;/h3-8H,9H2,1-2H3;1H/q+1;/p-1