EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H20N6O2S |
| Net Charge | 0 |
| Average Mass | 396.476 |
| Monoisotopic Mass | 396.13684 |
| SMILES | CCc1ccc(-n2nnnc2SCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 |
| InChI | InChI=1S/C19H20N6O2S/c1-3-14-4-10-17(11-5-14)25-19(22-23-24-25)28-12-18(27)21-16-8-6-15(7-9-16)20-13(2)26/h4-11H,3,12H2,1-2H3,(H,20,26)(H,21,27) |
| InChIKey | UFQMMFCIGWSKDO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(4-acetamidophenyl)-2-[[1-(4-ethylphenyl)-5-tetrazolyl]thio]acetamide (CHEBI:112850) is a tetrazoles (CHEBI:35689) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24260 | LINCS |