2-[(4,5-dimethoxypyridin-2-yl)methylsulfinyl]-6-(trifluoromethyloxy)-1H-benzimidazole

Systemtic Name: 2-[(4,5-dimethoxypyridin-2-yl)methylsulfinyl]-6-(trifluoromethyloxy)-1H-benzimidazole Openeye Name: 2-[(4,5-dimethoxy-2-pyridyl)methylsulfinyl]-6-(trifluoromethoxy)-1H-benzimidazole CAS Name: 2-[(4,5-dimethoxy-2-pyridinyl)methylsulfinyl]-6-(trifluoromethoxy)-1H-benzimidazole IUPAC Name: 2-[(4,5-dimethoxypyridin-2-yl)methylsulfinyl]-6-(trifluoromethoxy)-1H-benzimidazole Traditional Name: 2-[(4,5-dimethoxy-2-pyridyl)methylsulfinyl]-6-(trifluoromethoxy)-1H-benzimidazole Formula: C16H14F3N3O4S MolecularWeight: 401.36027

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC=C1OC)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)(F)F

Isomeric SMILES

COC1=CC(=NC=C1OC)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C16H14F3N3O4S/c1-24-13-5-9(20-7-14(13)25-2)8-27(23)15-21-11-4-3-10(6-12(11)22-15)26-16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)