2-[3-(5-ethanoyl-4-phenyl-2-phenylazanyl-thiophen-3-yl)imidazol-1-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[3-(5-ethanoyl-4-phenyl-2-phenylazanyl-thiophen-3-yl)imidazol-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[3-(5-acetyl-2-anilino-4-phenyl-3-thienyl)imidazol-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[3-(5-acetyl-2-anilino-4-phenyl-3-thiophenyl)-1-imidazol-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[3-(5-acetyl-2-anilino-4-phenylthiophen-3-yl)imidazol-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[3-(5-acetyl-2-anilino-4-phenyl-3-thienyl)imidazol-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C29H24BrN3O2S MolecularWeight: 558.48876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(S1)NC2=CC=CC=C2)N3C=C[N+](=C3)CC(=O)C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CC(=O)C1=C(C(=C(S1)NC2=CC=CC=C2)N3C=C[N+](=C3)CC(=O)C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H23N3O2S.BrH/c1-21(33)28-26(23-13-7-3-8-14-23)27(29(35-28)30-24-15-9-4-10-16-24)32-18-17-31(20-32)19-25(34)22-11-5-2-6-12-22;/h2-18,20H,19H2,1H3;1H