1-[2-(4-bromophenyl)-3-phenyl-imidazo[2,1-b][1,3]benzothiazol-9-ium-1-yl]ethanone bromide

Systemtic Name: 1-[2-(4-bromophenyl)-3-phenyl-imidazo[2,1-b][1,3]benzothiazol-9-ium-1-yl]ethanone bromide Openeye Name: 1-[2-(4-bromophenyl)-3-phenyl-imidazo[2,1-b][1,3]benzothiazol-9-ium-1-yl]ethanone bromide CAS Name: 1-[2-(4-bromophenyl)-3-phenyl-1-imidazo[2,1-b][1,3]benzothiazol-9-iumyl]ethanone bromide IUPAC Name: 1-[2-(4-bromophenyl)-3-phenylimidazo[2,1-b][1,3]benzothiazol-9-ium-1-yl]ethanone bromide Traditional Name: 1-[2-(4-bromophenyl)-3-phenyl-imidazo[2,1-b][1,3]benzothiazol-9-ium-1-yl]ethanone bromide Formula: C23H16Br2N2OS MolecularWeight: 528.25894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C2=[N+]1C3=CC=CC=C3S2)C4=CC=CC=C4)C5=CC=C(C=C5)Br.[Br-]

Isomeric SMILES

CC(=O)C1=C(N(C2=[N+]1C3=CC=CC=C3S2)C4=CC=CC=C4)C5=CC=C(C=C5)Br.[Br-]

InChI

InChI=1S/C23H16BrN2OS.BrH/c1-15(27)21-22(16-11-13-17(24)14-12-16)25(18-7-3-2-4-8-18)23-26(21)19-9-5-6-10-20(19)28-23;/h2-14H,1H3;1H/q+1;/p-1