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CHEBI:42540 - N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA

Default Structure
ChEBI IDCHEBI:42540
ChEBI NameN-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA
Stars
DownloadsMolfile
FormulaC16H16FN5OS
Net Charge0
Average Mass345.403
Monoisotopic Mass345.10596
SMILES[H]c1nc(C([H])([H])C([H])([H])N([H])C(=S)N([H])c2nc([H])c(C#N)c([H])c2[H])c(F)c(OC([H])([H])C([H])([H])[H])c1[H]
InChIInChI=1S/C16H16FN5OS/c1-2-23-13-6-8-19-12(15(13)17)5-7-20-16(24)22-14-4-3-11(9-18)10-21-14/h3-4,6,8,10H,2,5,7H2,1H3,(H2,20,21,22,24)
InChIKeyPQSCCWFMTRVFDA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA (CHEBI:42540) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-(5-cyanopyridin-2-yl)-3-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]thioureaPDBeChem
N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREAPDBeChem
Manual XrefsDatabases
FPTPDBeChem