2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone bromide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-methoxyphenyl)ethanone bromide Formula: C16H13BrNO2S2- MolecularWeight: 395.31392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3S2.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3S2.[Br-]

InChI

InChI=1S/C16H13NO2S2.BrH/c1-19-12-8-6-11(7-9-12)14(18)10-20-16-17-13-4-2-3-5-15(13)21-16;/h2-9H,10H2,1H3;1H/p-1