2-[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]sulfanyl-1H-benzimidazole

Systemtic Name: 2-[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]sulfanyl-1H-benzimidazole Openeye Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfanyl]-1H-benzimidazole CAS Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]thio]-1H-benzimidazole IUPAC Name: 2-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]sulfanyl-1H-benzimidazole Traditional Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]thio]-1H-benzimidazole Formula: C15H12F3N3OS MolecularWeight: 339.33549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1SC2=NC3=CC=CC=C3N2)OCC(F)(F)F

Isomeric SMILES

CC1=C(C=CN=C1SC2=NC3=CC=CC=C3N2)OCC(F)(F)F

InChI

InChI=1S/C15H12F3N3OS/c1-9-12(22-8-15(16,17)18)6-7-19-13(9)23-14-20-10-4-2-3-5-11(10)21-14/h2-7H,8H2,1H3,(H,20,21)