2-[(3,5-dimethyl-4-prop-2-enoxy-pyridin-2-yl)methylsulfanyl]-6-(trifluoromethyloxy)-1H-benzimidazole

Systemtic Name: 2-[(3,5-dimethyl-4-prop-2-enoxy-pyridin-2-yl)methylsulfanyl]-6-(trifluoromethyloxy)-1H-benzimidazole Openeye Name: 2-[(4-allyloxy-3,5-dimethyl-2-pyridyl)methylsulfanyl]-6-(trifluoromethoxy)-1H-benzimidazole CAS Name: 2-[(3,5-dimethyl-4-prop-2-enoxy-2-pyridinyl)methylthio]-6-(trifluoromethoxy)-1H-benzimidazole IUPAC Name: 2-[(3,5-dimethyl-4-prop-2-enoxypyridin-2-yl)methylsulfanyl]-6-(trifluoromethoxy)-1H-benzimidazole Traditional Name: 2-[(4-allyloxy-3,5-dimethyl-2-pyridyl)methylthio]-6-(trifluoromethoxy)-1H-benzimidazole Formula: C19H18F3N3O2S MolecularWeight: 409.42533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OCC=C)C)CSC2=NC3=C(N2)C=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=CN=C(C(=C1OCC=C)C)CSC2=NC3=C(N2)C=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H18F3N3O2S/c1-4-7-26-17-11(2)9-23-16(12(17)3)10-28-18-24-14-6-5-13(8-15(14)25-18)27-19(20,21)22/h4-6,8-9H,1,7,10H2,2-3H3,(H,24,25)