EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H13N3O4S2 |
| Net Charge | 0 |
| Average Mass | 339.398 |
| Monoisotopic Mass | 339.03475 |
| SMILES | COCCSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 |
| InChI | InChI=1S/C13H13N3O4S2/c1-18-4-5-21-13-16-15-12(22-13)14-11(17)8-2-3-9-10(6-8)20-7-19-9/h2-3,6H,4-5,7H2,1H3,(H,14,15,17) |
| InChIKey | AWQMDMUUXYJKJJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[5-(2-methoxyethylthio)-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:105068) is a benzodioxoles (CHEBI:38298) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16431 | LINCS |