2-hexylsulfanyl-6-methoxy-1-(phenylmethyl)benzimidazole

Systemtic Name: 2-hexylsulfanyl-6-methoxy-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-2-hexylsulfanyl-6-methoxy-benzimidazole CAS Name: 2-(hexylthio)-6-methoxy-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-2-hexylsulfanyl-6-methoxybenzimidazole Traditional Name: 1-benzyl-2-(hexylthio)-6-methoxy-benzimidazole Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)OC

Isomeric SMILES

CCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)OC

InChI

InChI=1S/C21H26N2OS/c1-3-4-5-9-14-25-21-22-19-13-12-18(24-2)15-20(19)23(21)16-17-10-7-6-8-11-17/h6-8,10-13,15H,3-5,9,14,16H2,1-2H3