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FDZ

Summary
Name:1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea
Formula:C10 H7 F3 N4 O2 S
Formal charge:0
Formula weight:304.248 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea
OpenEye OEToolkits2.0.41-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethyloxy)phenyl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2
InChIInChI1.03InChI=1S/C10H7F3N4O2S/c11-10(12,13)19-7-3-1-2-6(4-7)15-9(18)16-8-5-14-17-20-8/h1-5H,(H2,15,16,18)
InChIKeyInChI1.03CKHACPXJTNTCBW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)Oc1cccc(NC(=O)Nc2snnc2)c1
SMILESCACTVS3.385FC(F)(F)Oc1cccc(NC(=O)Nc2snnc2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.4c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2
SMILESOpenEye OEToolkits2.0.4c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2

217705

PDB entries from 2024-03-27

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