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9FX

Summary
Name:3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide
Formula:C16 H11 F N4 O2 S
Formal charge:0
Formula weight:342.348 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide
OpenEye OEToolkits2.0.63-fluoranyl-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(ncccn1)Sc2oc(cc2)\C=N\NC(c3cccc(c3)F)=O
InChIInChI1.03InChI=1S/C16H11FN4O2S/c17-12-4-1-3-11(9-12)15(22)21-20-10-13-5-6-14(23-13)24-16-18-7-2-8-19-16/h1-10H,(H,21,22)/b20-10+
InChIKeyInChI1.03DRXIKWHRYGIZNG-KEBDBYFISA-N
SMILES_CANONICALCACTVS3.385Fc1cccc(c1)C(=O)N/N=C/c2oc(Sc3ncccn3)cc2
SMILESCACTVS3.385Fc1cccc(c1)C(=O)NN=Cc2oc(Sc3ncccn3)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc(c1)F)C(=O)N/N=C/c2ccc(o2)Sc3ncccn3
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)F)C(=O)NN=Cc2ccc(o2)Sc3ncccn3

218853

PDB entries from 2024-04-24

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