2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dimethoxyphenyl)ethanone hydrobromide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dimethoxyphenyl)ethanone hydrobromide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dimethoxyphenyl)ethanone hydrobromide CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone hydrobromide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dimethoxyphenyl)ethanone hydrobromide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(3,4-dimethoxyphenyl)ethanone hydrobromide Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2)OC.Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3N2)OC.Br

InChI

InChI=1S/C17H16N2O3S.BrH/c1-21-15-8-7-11(9-16(15)22-2)14(20)10-23-17-18-12-5-3-4-6-13(12)19-17;/h3-9H,10H2,1-2H3,(H,18,19);1H