2-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(2-hydroxyethyl)amino]ethanol

Systemtic Name: 2-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl-(2-hydroxyethyl)amino]ethanol Openeye Name: 2-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl-(2-hydroxyethyl)amino]ethanol CAS Name: 2-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl-(2-hydroxyethyl)amino]ethanol IUPAC Name: 2-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl-(2-hydroxyethyl)amino]ethanol Traditional Name: 2-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl-(2-hydroxyethyl)amino]ethanol Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S2/c1-16-19(15-29-21-23-17-5-2-3-6-18(17)24-21)22-8-7-20(16)28-14-4-9-25(10-12-26)11-13-27/h2-3,5-8,26-27H,4,9-15H2,1H3,(H,23,24)