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A1LW4

Summary
Name:2-fluoranyl-~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-propylsulfinyl-4-(trifluoromethyl)benzamide
Formula:C14 H13 F4 N3 O3 S
Formal charge:0
Formula weight:379.33 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-fluoranyl-~{N}-(5-methyl-1,3,4-oxadiazol-2-yl)-3-propylsulfinyl-4-(trifluoromethyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C14H13F4N3O3S/c1-3-6-25(23)11-9(14(16,17)18)5-4-8(10(11)15)12(22)19-13-21-20-7(2)24-13/h4-5H,3,6H2,1-2H3,(H,19,21,22)
InChIKeyInChI1.06PWQIRGHRDYHXJS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCC[S@@](=O)c1c(F)c(ccc1C(F)(F)F)C(=O)Nc2oc(C)nn2
SMILESCACTVS3.385CCC[S](=O)c1c(F)c(ccc1C(F)(F)F)C(=O)Nc2oc(C)nn2
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCS(=O)c1c(ccc(c1F)C(=O)Nc2nnc(o2)C)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7CCCS(=O)c1c(ccc(c1F)C(=O)Nc2nnc(o2)C)C(F)(F)F

251801

PDB entries from 2026-04-08

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