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

Systemtic Name: 2-[(3,4-dimethoxy-5-methyl-pyridin-2-yl)methylsulfanyl]-6-(trifluoromethyloxy)-1H-benzimidazole Openeye Name: 2-[(3,4-dimethoxy-5-methyl-2-pyridyl)methylsulfanyl]-6-(trifluoromethoxy)-1H-benzimidazole CAS Name: 2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylthio]-6-(trifluoromethoxy)-1H-benzimidazole IUPAC Name: 2-[(3,4-dimethoxy-5-methylpyridin-2-yl)methylsulfanyl]-6-(trifluoromethoxy)-1H-benzimidazole Traditional Name: 2-[(3,4-dimethoxy-5-methyl-2-pyridyl)methylthio]-6-(trifluoromethoxy)-1H-benzimidazole Formula: C17H16F3N3O3S MolecularWeight: 399.38745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)OC)CSC2=NC3=C(N2)C=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=CN=C(C(=C1OC)OC)CSC2=NC3=C(N2)C=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C17H16F3N3O3S/c1-9-7-21-13(15(25-3)14(9)24-2)8-27-16-22-11-5-4-10(6-12(11)23-16)26-17(18,19)20/h4-7H,8H2,1-3H3,(H,22,23)