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Summary
Name:3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile
Formula:C16 H10 F N3 O S
Formal charge:0
Formula weight:311.334 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile
OpenEye OEToolkits1.7.63-[2-[(5-fluoranyl-2-oxidanyl-phenyl)amino]-1,3-thiazol-4-yl]benzenecarbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N#Cc3cccc(c1nc(sc1)Nc2c(O)ccc(F)c2)c3
InChIInChI1.03InChI=1S/C16H10FN3OS/c17-12-4-5-15(21)13(7-12)19-16-20-14(9-22-16)11-3-1-2-10(6-11)8-18/h1-7,9,21H,(H,19,20)
InChIKeyInChI1.03WLSORBAAVBPTGJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Oc1ccc(F)cc1Nc2scc(n2)c3cccc(c3)C#N
SMILESCACTVS3.370Oc1ccc(F)cc1Nc2scc(n2)c3cccc(c3)C#N
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(cc(c1)c2csc(n2)Nc3cc(ccc3O)F)C#N
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)c2csc(n2)Nc3cc(ccc3O)F)C#N

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PDB entries from 2024-04-17

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