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

Systemtic Name: 4-ethyl-2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfinyl]-1H-benzimidazole Openeye Name: 4-ethyl-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfinyl]-1H-benzimidazole CAS Name: 4-ethyl-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole IUPAC Name: 4-ethyl-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole Traditional Name: 4-ethyl-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfinyl]-1H-benzimidazole Formula: C18H18F3N3O2S MolecularWeight: 397.41463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)NC(=N2)S(=O)CC3=NC=CC(=C3C)OCC(F)(F)F

Isomeric SMILES

CCC1=C2C(=CC=C1)NC(=N2)S(=O)CC3=NC=CC(=C3C)OCC(F)(F)F

InChI

InChI=1S/C18H18F3N3O2S/c1-3-12-5-4-6-13-16(12)24-17(23-13)27(25)9-14-11(2)15(7-8-22-14)26-10-18(19,20)21/h4-8H,3,9-10H2,1-2H3,(H,23,24)