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

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ChEBI Name S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
ChEBI ID CHEBI:42403
ChEBI ASCII Name S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C16H8F3N3O2S
Net Charge 0
Average Mass 363.31495
Monoisotopic Mass 363.02893
InChI InChI=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)
InChIKey VNGWUVBXUIDQTK-UHFFFAOYSA-N
SMILES FC(F)(F)c1nnc(SC(=O)c2ccc(o2)C#Cc2ccccc2)[nH]1
ChEBI Ontology
Outgoing 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-CARBOTHIOATE PDBeChem
Manual Xrefs Databases
DB07743 DrugBank
F3F PDBeChem
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Registry Number Type Source
10582922 Beilstein Registry Number Beilstein
Last Modified
02 May 2013