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

Systemtic Name: 1-[2-(1H-benzimidazol-2-ylsulfinyl)phenyl]-6,7-dimethoxy-isoquinoline Openeye Name: 1-[2-(1H-benzimidazol-2-ylsulfinyl)phenyl]-6,7-dimethoxy-isoquinoline CAS Name: 1-[2-(1H-benzimidazol-2-ylsulfinyl)phenyl]-6,7-dimethoxyisoquinoline IUPAC Name: 1-[2-(1H-benzimidazol-2-ylsulfinyl)phenyl]-6,7-dimethoxyisoquinoline Traditional Name: 1-[2-(1H-benzimidazol-2-ylsulfinyl)phenyl]-6,7-dimethoxy-isoquinoline Formula: C24H19N3O3S MolecularWeight: 429.49096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2C3=CC=CC=C3S(=O)C4=NC5=CC=CC=C5N4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2C3=CC=CC=C3S(=O)C4=NC5=CC=CC=C5N4)OC

InChI

InChI=1S/C24H19N3O3S/c1-29-20-13-15-11-12-25-23(17(15)14-21(20)30-2)16-7-3-6-10-22(16)31(28)24-26-18-8-4-5-9-19(18)27-24/h3-14H,1-2H3,(H,26,27)