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

Systemtic Name: 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-4-yl]sulfanylethyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-pyridyl]sulfanyl]ethyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-4-pyridinyl]thio]ethyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[2-[2-(1H-benzimidazol-2-ylsulfanylmethyl)pyridin-4-yl]sulfanylethyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[2-[[2-[(1H-benzimidazol-2-ylthio)methyl]-4-pyridyl]thio]ethyl]-3,4-dihydro-1H-isoquinoline Formula: C24H24N4S2 MolecularWeight: 432.60416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCSC3=CC(=NC=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCSC3=CC(=NC=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H24N4S2/c1-2-6-19-16-28(12-10-18(19)5-1)13-14-29-21-9-11-25-20(15-21)17-30-24-26-22-7-3-4-8-23(22)27-24/h1-9,11,15H,10,12-14,16-17H2,(H,26,27)