2-hexadecylsulfanyl-1H-benzimidazole bromide

Systemtic Name: 2-hexadecylsulfanyl-1H-benzimidazole bromide Openeye Name: 2-hexadecylsulfanyl-1H-benzimidazole bromide CAS Name: 2-(hexadecylthio)-1H-benzimidazole bromide IUPAC Name: 2-hexadecylsulfanyl-1H-benzimidazole bromide Traditional Name: 2-(cetylthio)-1H-benzimidazole bromide Formula: C23H38BrN2S- MolecularWeight: 454.53022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NC2=CC=CC=C2N1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NC2=CC=CC=C2N1.[Br-]

InChI

InChI=1S/C23H38N2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-26-23-24-21-18-15-16-19-22(21)25-23;/h15-16,18-19H,2-14,17,20H2,1H3,(H,24,25);1H/p-1