7-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]oxyheptan-1-ol

Systemtic Name: 7-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]oxyheptan-1-ol Openeye Name: 7-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]oxy]heptan-1-ol CAS Name: 7-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]oxy]-1-heptanol IUPAC Name: 7-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]oxyheptan-1-ol Traditional Name: 7-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]oxy]heptan-1-ol Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-16-19(15-27-21-23-17-9-5-6-10-18(17)24-21)22-12-11-20(16)26-14-8-4-2-3-7-13-25/h5-6,9-12,25H,2-4,7-8,13-15H2,1H3,(H,23,24)