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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-nitrophenyl)ethanone bromide Formula: C15H10BrN2O3S2- MolecularWeight: 410.2855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N2O3S2.BrH/c18-13(10-5-7-11(8-6-10)17(19)20)9-21-15-16-12-3-1-2-4-14(12)22-15;/h1-8H,9H2;1H/p-1