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

Systemtic Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]-1-phenyl-ethanone bromide Openeye Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]-1-phenyl-ethanone bromide CAS Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]-1-phenylethanone bromide IUPAC Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]-1-phenylethanone bromide Traditional Name: 2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)thio]-1-phenyl-ethanone bromide Formula: C16H14BrNOS2 MolecularWeight: 380.32246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14NOS2.BrH/c1-17-13-9-5-6-10-15(13)20-16(17)19-11-14(18)12-7-3-2-4-8-12;/h2-10H,11H2,1H3;1H/q+1;/p-1