EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C12H12ClN3OS |
| Net Charge | 0 |
| Average Mass | 281.768 |
| Monoisotopic Mass | 281.03896 |
| SMILES | CCC(=O)n1nc(-c2ccc(Cl)cc2)nc1SC |
| InChI | InChI=1S/C12H12ClN3OS/c1-3-10(17)16-12(18-2)14-11(15-16)8-4-6-9(13)7-5-8/h4-7H,3H2,1-2H3 |
| InChIKey | FOVVBQGJNFWDHB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazol-1-yl]-1-propanone (CHEBI:107883) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19260 | LINCS |