3-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropylamino]propane-1,2-diol

Systemtic Name: 3-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropylamino]propane-1,2-diol Openeye Name: 3-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propylamino]propane-1,2-diol CAS Name: 3-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propylamino]propane-1,2-diol IUPAC Name: 3-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropylamino]propane-1,2-diol Traditional Name: 3-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propylamino]propane-1,2-diol Formula: C20H26N4O2S2 MolecularWeight: 418.57604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCNCC(CO)O

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCNCC(CO)O

InChI

InChI=1S/C20H26N4O2S2/c1-14-18(13-28-20-23-16-5-2-3-6-17(16)24-20)22-9-7-19(14)27-10-4-8-21-11-15(26)12-25/h2-3,5-7,9,15,21,25-26H,4,8,10-13H2,1H3,(H,23,24)