8-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]oxyoctan-1-ol

Systemtic Name: 8-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]oxyoctan-1-ol Openeye Name: 8-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]oxy]octan-1-ol CAS Name: 8-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]oxy]-1-octanol IUPAC Name: 8-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]oxyoctan-1-ol Traditional Name: 8-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]oxy]octan-1-ol Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCCCCCCCCO

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCCCCCCCCO

InChI

InChI=1S/C22H29N3O2S/c1-17-20(16-28-22-24-18-10-6-7-11-19(18)25-22)23-13-12-21(17)27-15-9-5-3-2-4-8-14-26/h6-7,10-13,26H,2-5,8-9,14-16H2,1H3,(H,24,25)