2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-butoxyphenyl)ethanone bromide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-butoxyphenyl)ethanone bromide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-butoxyphenyl)ethanone bromide CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-(4-butoxyphenyl)ethanone bromide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-butoxyphenyl)ethanone bromide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(4-butoxyphenyl)ethanone bromide Formula: C19H20BrN2O2S- MolecularWeight: 420.3433

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2.[Br-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2.[Br-]

InChI

InChI=1S/C19H20N2O2S.BrH/c1-2-3-12-23-15-10-8-14(9-11-15)18(22)13-24-19-20-16-6-4-5-7-17(16)21-19;/h4-11H,2-3,12-13H2,1H3,(H,20,21);1H/p-1