2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]oxyethylsulfanyl]-3,4-dihydrothiochromen-2-ol

Systemtic Name: 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]oxyethylsulfanyl]-3,4-dihydrothiochromen-2-ol Openeye Name: 2-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]oxy]ethylsulfanyl]thiochroman-2-ol CAS Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]oxy]ethylthio]-3,4-dihydro-1-benzothiopyran-2-ol IUPAC Name: 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]oxyethylsulfanyl]-3,4-dihydrothiochromen-2-ol Traditional Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]oxy]ethylthio]thiochroman-2-ol Formula: C25H25N3O2S3 MolecularWeight: 495.6799

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCCSC4(CCC5=CC=CC=C5S4)O

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCCSC4(CCC5=CC=CC=C5S4)O

InChI

InChI=1S/C25H25N3O2S3/c1-17-21(16-31-24-27-19-7-3-4-8-20(19)28-24)26-13-11-22(17)30-14-15-32-25(29)12-10-18-6-2-5-9-23(18)33-25/h2-9,11,13,29H,10,12,14-16H2,1H3,(H,27,28)