6-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]oxyhexan-2-ol

Systemtic Name: 6-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]oxyhexan-2-ol Openeye Name: 6-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]oxy]hexan-2-ol CAS Name: 6-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]oxy]-2-hexanol IUPAC Name: 6-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]oxyhexan-2-ol Traditional Name: 6-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]oxy]hexan-2-ol Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCCCCC(C)O

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCCCCC(C)O

InChI

InChI=1S/C20H25N3O2S/c1-14(24)7-5-6-12-25-19-10-11-21-18(15(19)2)13-26-20-22-16-8-3-4-9-17(16)23-20/h3-4,8-11,14,24H,5-7,12-13H2,1-2H3,(H,22,23)