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CHEBI:42403 - S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate

Default Structure
ChEBI IDCHEBI:42403
ChEBI NameS-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
Stars
ASCII NameS-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
Last Modified2 May 2013
DownloadsMolfile
FormulaC16H8F3N3O2S
Net Charge0
Average Mass363.320
Monoisotopic Mass363.02893
SMILESO=C(Sc1nnc(C(F)(F)F)n1)c1ccc(C#Cc2ccccc2)o1
InChIInChI=1S/C16H8F3N3O2S/c17-16(18,19)14-20-15(22-21-14)25-13(23)12-9-8-11(24-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,20,21,22)
InChIKeyVNGWUVBXUIDQTK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate (CHEBI:42403) is a acetylenic compound (CHEBI:73474)
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate (CHEBI:42403) is a furans (CHEBI:24129)
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate (CHEBI:42403) is a organofluorine compound (CHEBI:37143)
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate (CHEBI:42403) is a thioester (CHEBI:51277)
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate (CHEBI:42403) is a triazoles (CHEBI:35727)
IUPAC Name 
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
Synonym  Source
S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATEPDBeChem
Manual XrefsDatabases
DB07743DrugBank
F3FPDBeChem
Registry NumbersSources
Beilstein:10582922Beilstein