ethyl 2-[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[1-(difluoromethyl)-2-benzimidazolyl]methylthio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[1-(difluoromethyl)benzimidazol-2-yl]methylthio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C21H20F2N4O2S MolecularWeight: 430.470906

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=NC4=CC=CC=C4N3C(F)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=NC4=CC=CC=C4N3C(F)F

InChI

InChI=1S/C21H20F2N4O2S/c1-3-26-16-10-9-13(19(28)29-4-2)11-15(16)25-21(26)30-12-18-24-14-7-5-6-8-17(14)27(18)20(22)23/h5-11,20H,3-4,12H2,1-2H3