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CHEBI:42403 - S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
| Formula | C16H8F3N3O2S |
| Net Charge | 0 |
| Average Mass | 363.320 |
| Monoisotopic Mass | 363.02893 |
| SMILES | O=C(Sc1nnc(C(F)(F)F)n1)c1ccc(C#Cc2ccccc2)o1 |
| 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 |
| 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-CARBOTHIOATE | PDBeChem |