2-[[3-methyl-4-(1-pyridin-2-ylsulfanylethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[[3-methyl-4-(1-pyridin-2-ylsulfanylethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[[3-methyl-4-[1-(2-pyridylsulfanyl)ethoxy]-2-pyridyl]methylsulfanyl]-1H-benzimidazole CAS Name: 2-[[3-methyl-4-[1-(2-pyridinylthio)ethoxy]-2-pyridinyl]methylthio]-1H-benzimidazole IUPAC Name: 2-[[3-methyl-4-(1-pyridin-2-ylsulfanylethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[[3-methyl-4-[1-(2-pyridylthio)ethoxy]-2-pyridyl]methylthio]-1H-benzimidazole Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OC(C)SC4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OC(C)SC4=CC=CC=N4

InChI

InChI=1S/C21H20N4OS2/c1-14-18(13-27-21-24-16-7-3-4-8-17(16)25-21)22-12-10-19(14)26-15(2)28-20-9-5-6-11-23-20/h3-12,15H,13H2,1-2H3,(H,24,25)