2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]oxyethyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]oxyethyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]oxy]ethyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]oxy]ethyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]oxyethyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]oxy]ethyl]-3,4-dihydro-1H-isoquinoline Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCCN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCCN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H26N4OS/c1-18-23(17-31-25-27-21-8-4-5-9-22(21)28-25)26-12-10-24(18)30-15-14-29-13-11-19-6-2-3-7-20(19)16-29/h2-10,12H,11,13-17H2,1H3,(H,27,28)