2-(1,3-benzothiazol-3-ium-2-yl)-1-(4-bromophenyl)ethanone bromide

Systemtic Name: 2-(1,3-benzothiazol-3-ium-2-yl)-1-(4-bromophenyl)ethanone bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-2-yl)-1-(4-bromophenyl)ethanone bromide CAS Name: 2-(1,3-benzothiazol-3-ium-2-yl)-1-(4-bromophenyl)ethanone bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-2-yl)-1-(4-bromophenyl)ethanone bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-2-yl)-1-(4-bromophenyl)ethanone bromide Formula: C15H11Br2NOS MolecularWeight: 413.12694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH+]=C(S2)CC(=O)C3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)[NH+]=C(S2)CC(=O)C3=CC=C(C=C3)Br.[Br-]

InChI

InChI=1S/C15H10BrNOS.BrH/c16-11-7-5-10(6-8-11)13(18)9-15-17-12-3-1-2-4-14(12)19-15;/h1-8H,9H2;1H