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

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(3-nitrophenyl)ethanone bromide Formula: C15H11BrN2O3S MolecularWeight: 379.22844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C15H11N2O3S.BrH/c18-14(11-4-3-5-12(8-11)17(19)20)9-16-10-21-15-7-2-1-6-13(15)16;/h1-8,10H,9H2;1H/q+1;/p-1