2-(4,5-dihydro-1,3-thiazol-3-ium-2-ylsulfanyl)-1-(4-iodophenyl)ethanone bromide

Systemtic Name: 2-(4,5-dihydro-1,3-thiazol-3-ium-2-ylsulfanyl)-1-(4-iodophenyl)ethanone bromide Openeye Name: 2-(4,5-dihydrothiazol-3-ium-2-ylsulfanyl)-1-(4-iodophenyl)ethanone bromide CAS Name: 2-(4,5-dihydrothiazol-3-ium-2-ylthio)-1-(4-iodophenyl)ethanone bromide IUPAC Name: 2-(4,5-dihydro-1,3-thiazol-3-ium-2-ylsulfanyl)-1-(4-iodophenyl)ethanone bromide Traditional Name: 1-(4-iodophenyl)-2-(2-thiazolin-3-ium-2-ylthio)ethanone bromide Formula: C11H11BrINOS2 MolecularWeight: 444.14961

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=[NH+]1)SCC(=O)C2=CC=C(C=C2)I.[Br-]

Isomeric SMILES

C1CSC(=[NH+]1)SCC(=O)C2=CC=C(C=C2)I.[Br-]

InChI

InChI=1S/C11H10INOS2.BrH/c12-9-3-1-8(2-4-9)10(14)7-16-11-13-5-6-15-11;/h1-4H,5-7H2;1H