6-pyridin-4-ylsulfanyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole

Systemtic Name: 6-pyridin-4-ylsulfanyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole Openeye Name: 6-(4-pyridylsulfanyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole CAS Name: 6-(pyridin-4-ylthio)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole IUPAC Name: 6-pyridin-4-ylsulfanyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole Traditional Name: 6-(4-pyridylthio)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole Formula: C20H14F3N3OS MolecularWeight: 401.40487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=NC3=C(N2)C=C(C=C3)SC4=CC=NC=C4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=NC3=C(N2)C=C(C=C3)SC4=CC=NC=C4)C(F)(F)F

InChI

InChI=1S/C20H14F3N3OS/c21-20(22,23)13-2-1-3-14(10-13)27-12-19-25-17-5-4-16(11-18(17)26-19)28-15-6-8-24-9-7-15/h1-11H,12H2,(H,25,26)