1-heptyl-2-(phenylmethylsulfanyl)benzimidazole hydrobromide

Systemtic Name: 1-heptyl-2-(phenylmethylsulfanyl)benzimidazole hydrobromide Openeye Name: 2-benzylsulfanyl-1-heptyl-benzimidazole hydrobromide CAS Name: 1-heptyl-2-(phenylmethylthio)benzimidazole hydrobromide IUPAC Name: 2-benzylsulfanyl-1-heptylbenzimidazole hydrobromide Traditional Name: 2-(benzylthio)-1-heptyl-benzimidazole hydrobromide Formula: C21H27BrN2S MolecularWeight: 419.42148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2N=C1SCC3=CC=CC=C3.Br

Isomeric SMILES

CCCCCCCN1C2=CC=CC=C2N=C1SCC3=CC=CC=C3.Br

InChI

InChI=1S/C21H26N2S.BrH/c1-2-3-4-5-11-16-23-20-15-10-9-14-19(20)22-21(23)24-17-18-12-7-6-8-13-18;/h6-10,12-15H,2-5,11,16-17H2,1H3;1H