EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H8ClN3S |
| Net Charge | 0 |
| Average Mass | 225.704 |
| Monoisotopic Mass | 225.01275 |
| SMILES | Cc1nnc(=S)n1-c1cccc(Cl)c1 |
| InChI | InChI=1S/C9H8ClN3S/c1-6-11-12-9(14)13(6)8-4-2-3-7(10)5-8/h2-5H,1H3,(H,12,14) |
| InChIKey | UBQLDJNFYUHKTK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(3-chlorophenyl)-3-methyl-1H-1,2,4-triazole-5-thione (CHEBI:105933) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17294 | LINCS |