4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl]morpholine trihydrochloride

Systemtic Name: 4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylethyl]morpholine trihydrochloride Openeye Name: 4-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]ethyl]morpholine trihydrochloride CAS Name: 4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]ethyl]morpholine trihydrochloride IUPAC Name: 4-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylethyl]morpholine trihydrochloride Traditional Name: 4-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]ethyl]morpholine trihydrochloride Formula: C20H27Cl3N4OS2 MolecularWeight: 509.94358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN4CCOCC4.Cl.Cl.Cl

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)SCCN4CCOCC4.Cl.Cl.Cl

InChI

InChI=1S/C20H24N4OS2.3ClH/c1-15-18(14-27-20-22-16-4-2-3-5-17(16)23-20)21-7-6-19(15)26-13-10-24-8-11-25-12-9-24;;;/h2-7H,8-14H2,1H3,(H,22,23);3*1H