6-pyridin-4-ylsulfanyl-2-[(3,4,5-trimethoxyphenoxy)methyl]-1H-benzimidazole

Systemtic Name: 6-pyridin-4-ylsulfanyl-2-[(3,4,5-trimethoxyphenoxy)methyl]-1H-benzimidazole Openeye Name: 6-(4-pyridylsulfanyl)-2-[(3,4,5-trimethoxyphenoxy)methyl]-1H-benzimidazole CAS Name: 6-(pyridin-4-ylthio)-2-[(3,4,5-trimethoxyphenoxy)methyl]-1H-benzimidazole IUPAC Name: 6-pyridin-4-ylsulfanyl-2-[(3,4,5-trimethoxyphenoxy)methyl]-1H-benzimidazole Traditional Name: 6-(4-pyridylthio)-2-[(3,4,5-trimethoxyphenoxy)methyl]-1H-benzimidazole Formula: C22H21N3O4S MolecularWeight: 423.48484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)OCC2=NC3=C(N2)C=C(C=C3)SC4=CC=NC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)OCC2=NC3=C(N2)C=C(C=C3)SC4=CC=NC=C4

InChI

InChI=1S/C22H21N3O4S/c1-26-19-10-14(11-20(27-2)22(19)28-3)29-13-21-24-17-5-4-16(12-18(17)25-21)30-15-6-8-23-9-7-15/h4-12H,13H2,1-3H3,(H,24,25)