2-[[4-(1-butoxyethoxy)-3-methyl-pyridin-2-yl]methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole

Systemtic Name: 2-[[4-(1-butoxyethoxy)-3-methyl-pyridin-2-yl]methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole Openeye Name: 2-[[4-(1-butoxyethoxy)-3-methyl-2-pyridyl]methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole CAS Name: 2-[[4-(1-butoxyethoxy)-3-methyl-2-pyridinyl]methylthio]-6-(trifluoromethyl)-1H-benzimidazole IUPAC Name: 2-[[4-(1-butoxyethoxy)-3-methylpyridin-2-yl]methylsulfanyl]-6-(trifluoromethyl)-1H-benzimidazole Traditional Name: 2-[[4-(1-butoxyethoxy)-3-methyl-2-pyridyl]methylthio]-6-(trifluoromethyl)-1H-benzimidazole Formula: C21H24F3N3O2S MolecularWeight: 439.49437

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)OC1=C(C(=NC=C1)CSC2=NC3=C(N2)C=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CCCCOC(C)OC1=C(C(=NC=C1)CSC2=NC3=C(N2)C=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C21H24F3N3O2S/c1-4-5-10-28-14(3)29-19-8-9-25-18(13(19)2)12-30-20-26-16-7-6-15(21(22,23)24)11-17(16)27-20/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,26,27)