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

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-1-(4-nitrophenyl)ethanone bromide Formula: C15H11BrN3O3S- MolecularWeight: 393.23514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O3S.BrH/c19-13(10-5-7-11(8-6-10)18(20)21)9-16-15-17-12-3-1-2-4-14(12)22-15;/h1-8H,9H2,(H,16,17);1H/p-1