1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-butan-2-one hydrobromide

Systemtic Name: 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-butan-2-one hydrobromide Openeye Name: 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethyl-butan-2-one hydrobromide CAS Name: 1-(1H-benzimidazol-2-ylthio)-3,3-dimethyl-2-butanone hydrobromide IUPAC Name: 1-(1H-benzimidazol-2-ylsulfanyl)-3,3-dimethylbutan-2-one hydrobromide Traditional Name: 1-(1H-benzimidazol-2-ylthio)-3,3-dimethyl-butan-2-one hydrobromide Formula: C13H17BrN2OS MolecularWeight: 329.25588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2N1.Br

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2N1.Br

InChI

InChI=1S/C13H16N2OS.BrH/c1-13(2,3)11(16)8-17-12-14-9-6-4-5-7-10(9)15-12;/h4-7H,8H2,1-3H3,(H,14,15);1H