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

Systemtic Name: 3-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropylamino]propan-1-ol Openeye Name: 3-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propylamino]propan-1-ol CAS Name: 3-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propylamino]-1-propanol IUPAC Name: 3-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropylamino]propan-1-ol Traditional Name: 3-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propylamino]propan-1-ol Formula: C20H26N4OS2 MolecularWeight: 402.57664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCNCCCO

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCCNCCCO

InChI

InChI=1S/C20H26N4OS2/c1-15-18(14-27-20-23-16-6-2-3-7-17(16)24-20)22-11-8-19(15)26-13-5-10-21-9-4-12-25/h2-3,6-8,11,21,25H,4-5,9-10,12-14H2,1H3,(H,23,24)