9-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]oxynonan-1-ol

Systemtic Name: 9-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]oxynonan-1-ol Openeye Name: 9-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]oxy]nonan-1-ol CAS Name: 9-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]oxy]-1-nonanol IUPAC Name: 9-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]oxynonan-1-ol Traditional Name: 9-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]oxy]nonan-1-ol Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S/c1-18-21(17-29-23-25-19-11-7-8-12-20(19)26-23)24-14-13-22(18)28-16-10-6-4-2-3-5-9-15-27/h7-8,11-14,27H,2-6,9-10,15-17H2,1H3,(H,25,26)