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

Systemtic Name: 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(phenylmethyl)amino]ethanol Openeye Name: 2-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-benzyl-amino]ethanol CAS Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(phenylmethyl)amino]ethanol IUPAC Name: 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-benzylamino]ethanol Traditional Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-benzyl-amino]ethanol Formula: C25H28N4OS2 MolecularWeight: 464.64602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN(CCO)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN(CCO)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4OS2/c1-19-23(18-32-25-27-21-9-5-6-10-22(21)28-25)26-12-11-24(19)31-16-14-29(13-15-30)17-20-7-3-2-4-8-20/h2-12,30H,13-18H2,1H3,(H,27,28)