EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H15N3O2S |
| Net Charge | 0 |
| Average Mass | 277.349 |
| Monoisotopic Mass | 277.08850 |
| SMILES | CC(=O)NC1=NN(C(C)=O)C(C)(c2ccccc2)S1 |
| InChI | InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17) |
| InChIKey | JEFVYQYZCAVNTP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CHEBI:94425) is a benzenes (CHEBI:22712) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5122 | LINCS |