5-(azepan-1-yl)-6-fluoranyl-2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 5-(azepan-1-yl)-6-fluoranyl-2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfanyl]-1H-benzimidazole Openeye Name: 5-(azepan-1-yl)-6-fluoro-2-[(4-methoxy-3-methyl-2-pyridyl)methylsulfanyl]-1H-benzimidazole CAS Name: 5-(1-azepanyl)-6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylthio]-1H-benzimidazole IUPAC Name: 5-(azepan-1-yl)-6-fluoro-2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole Traditional Name: 5-(azepan-1-yl)-6-fluoro-2-[(4-methoxy-3-methyl-2-pyridyl)methylthio]-1H-benzimidazole Formula: C21H25FN4OS MolecularWeight: 400.512803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC(=C(C=C3N2)F)N4CCCCCC4)OC

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC(=C(C=C3N2)F)N4CCCCCC4)OC

InChI

InChI=1S/C21H25FN4OS/c1-14-18(23-8-7-20(14)27-2)13-28-21-24-16-11-15(22)19(12-17(16)25-21)26-9-5-3-4-6-10-26/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,24,25)