1-(3-nitrophenyl)-2-pyrylium-4-ylsulfanyl-ethanone bromide

Systemtic Name: 1-(3-nitrophenyl)-2-pyrylium-4-ylsulfanyl-ethanone bromide Openeye Name: 1-(3-nitrophenyl)-2-pyrylium-4-ylsulfanyl-ethanone bromide CAS Name: 1-(3-nitrophenyl)-2-(4-pyryliumylthio)ethanone bromide IUPAC Name: 1-(3-nitrophenyl)-2-pyrylium-4-ylsulfanylethanone bromide Traditional Name: 1-(3-nitrophenyl)-2-(pyrylium-4-ylthio)ethanone bromide Formula: C13H10BrNO4S MolecularWeight: 356.1918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=CC=[O+]C=C2.[Br-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=CC=[O+]C=C2.[Br-]

InChI

InChI=1S/C13H10NO4S.BrH/c15-13(9-19-12-4-6-18-7-5-12)10-2-1-3-11(8-10)14(16)17;/h1-8H,9H2;1H/q+1;/p-1