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

Systemtic Name: 3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl-(3-oxidanylpropyl)amino]propan-1-ol Openeye Name: 3-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl-(3-hydroxypropyl)amino]propan-1-ol CAS Name: 3-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl-(3-hydroxypropyl)amino]-1-propanol IUPAC Name: 3-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl-(3-hydroxypropyl)amino]propan-1-ol Traditional Name: 3-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl-(3-hydroxypropyl)amino]propan-1-ol Formula: C22H30N4O2S2 MolecularWeight: 446.6292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2S2/c1-17-20(16-30-22-24-18-6-2-3-7-19(18)25-22)23-9-8-21(17)29-15-12-26(10-4-13-27)11-5-14-28/h2-3,6-9,27-28H,4-5,10-16H2,1H3,(H,24,25)