2-[(4,5-dimethoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-6-(trifluoromethyloxy)-1H-benzimidazole

Systemtic Name: 2-[(4,5-dimethoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-6-(trifluoromethyloxy)-1H-benzimidazole Openeye Name: 2-[(4,5-dimethoxy-3-methyl-2-pyridyl)methylsulfinyl]-6-(trifluoromethoxy)-1H-benzimidazole CAS Name: 2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-6-(trifluoromethoxy)-1H-benzimidazole IUPAC Name: 2-[(4,5-dimethoxy-3-methylpyridin-2-yl)methylsulfinyl]-6-(trifluoromethoxy)-1H-benzimidazole Traditional Name: 2-[(4,5-dimethoxy-3-methyl-2-pyridyl)methylsulfinyl]-6-(trifluoromethoxy)-1H-benzimidazole Formula: C17H16F3N3O4S MolecularWeight: 415.38685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)(F)F)OC)OC

Isomeric SMILES

CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)(F)F)OC)OC

InChI

InChI=1S/C17H16F3N3O4S/c1-9-13(21-7-14(25-2)15(9)26-3)8-28(24)16-22-11-5-4-10(6-12(11)23-16)27-17(18,19)20/h4-7H,8H2,1-3H3,(H,22,23)