1-[4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone bromide

Systemtic Name: 1-[4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone bromide Openeye Name: 1-[4-[[4-(3-nitrophenyl)thiazol-2-yl]amino]phenyl]ethanone bromide CAS Name: 1-[4-[[4-(3-nitrophenyl)-2-thiazolyl]amino]phenyl]ethanone bromide IUPAC Name: 1-[4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone bromide Traditional Name: 1-[4-[[4-(3-nitrophenyl)thiazol-2-yl]amino]phenyl]ethanone bromide Formula: C17H13BrN3O3S- MolecularWeight: 419.27242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C17H13N3O3S.BrH/c1-11(21)12-5-7-14(8-6-12)18-17-19-16(10-24-17)13-3-2-4-15(9-13)20(22)23;/h2-10H,1H3,(H,18,19);1H/p-1