2-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-methylsulfanyl-ethenyl]sulfanyl-1-phenyl-ethanone bromide

Systemtic Name: 2-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-methylsulfanyl-ethenyl]sulfanyl-1-phenyl-ethanone bromide Openeye Name: 2-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-methylsulfanyl-vinyl]sulfanyl-1-phenyl-ethanone bromide CAS Name: 2-[[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-(methylthio)ethenyl]thio]-1-phenylethanone bromide IUPAC Name: 2-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-methylsulfanylethenyl]sulfanyl-1-phenylethanone bromide Traditional Name: 2-[[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-(methylthio)vinyl]thio]-1-phenyl-ethanone bromide Formula: C19H18BrNOS3 MolecularWeight: 452.45132

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C=C(SC)SCC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)C=C(SC)SCC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H18NOS3.BrH/c1-20-15-10-6-7-11-17(15)24-18(20)12-19(22-2)23-13-16(21)14-8-4-3-5-9-14;/h3-12H,13H2,1-2H3;1H/q+1;/p-1