3-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(3-oxidanylpropyl)amino]propan-1-ol

Systemtic Name: 3-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(3-oxidanylpropyl)amino]propan-1-ol Openeye Name: 3-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl-(3-hydroxypropyl)amino]propan-1-ol CAS Name: 3-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl-(3-hydroxypropyl)amino]-1-propanol IUPAC Name: 3-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl-(3-hydroxypropyl)amino]propan-1-ol Traditional Name: 3-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl-(3-hydroxypropyl)amino]propan-1-ol Formula: C23H32N4O2S2 MolecularWeight: 460.65578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCN(CCCO)CCCO

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCN(CCCO)CCCO

InChI

InChI=1S/C23H32N4O2S2/c1-18-21(17-31-23-25-19-7-2-3-8-20(19)26-23)24-10-9-22(18)30-16-6-13-27(11-4-14-28)12-5-15-29/h2-3,7-10,28-29H,4-6,11-17H2,1H3,(H,25,26)