1-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]-6,7-dimethoxy-isoquinoline

Systemtic Name: 1-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]-6,7-dimethoxy-isoquinoline Openeye Name: 1-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]-6,7-dimethoxy-isoquinoline CAS Name: 1-[2-(1H-benzimidazol-2-ylthio)phenyl]-6,7-dimethoxyisoquinoline IUPAC Name: 1-[2-(1H-benzimidazol-2-ylsulfanyl)phenyl]-6,7-dimethoxyisoquinoline Traditional Name: 1-[2-(1H-benzimidazol-2-ylthio)phenyl]-6,7-dimethoxy-isoquinoline Formula: C24H19N3O2S MolecularWeight: 413.49156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2C3=CC=CC=C3SC4=NC5=CC=CC=C5N4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2C3=CC=CC=C3SC4=NC5=CC=CC=C5N4)OC

InChI

InChI=1S/C24H19N3O2S/c1-28-20-13-15-11-12-25-23(17(15)14-21(20)29-2)16-7-3-6-10-22(16)30-24-26-18-8-4-5-9-19(18)27-24/h3-14H,1-2H3,(H,26,27)