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

Systemtic Name: 2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfanyl]-5,6-bis(trifluoromethyloxy)-1H-benzimidazole Openeye Name: 2-[(4-methoxy-3-methyl-2-pyridyl)methylsulfanyl]-5,6-bis(trifluoromethoxy)-1H-benzimidazole CAS Name: 2-[(4-methoxy-3-methyl-2-pyridinyl)methylthio]-5,6-bis(trifluoromethoxy)-1H-benzimidazole IUPAC Name: 2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfanyl]-5,6-bis(trifluoromethoxy)-1H-benzimidazole Traditional Name: 2-[(4-methoxy-3-methyl-2-pyridyl)methylthio]-5,6-bis(trifluoromethoxy)-1H-benzimidazole Formula: C17H13F6N3O3S MolecularWeight: 453.358839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC(=C(C=C3N2)OC(F)(F)F)OC(F)(F)F)OC

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC(=C(C=C3N2)OC(F)(F)F)OC(F)(F)F)OC

InChI

InChI=1S/C17H13F6N3O3S/c1-8-11(24-4-3-12(8)27-2)7-30-15-25-9-5-13(28-16(18,19)20)14(6-10(9)26-15)29-17(21,22)23/h3-6H,7H2,1-2H3,(H,25,26)