EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H13N3O2S3 |
| Net Charge | 0 |
| Average Mass | 339.467 |
| Monoisotopic Mass | 339.01699 |
| SMILES | COc1ccc2nc(NC(=O)CSC3=NCCS3)sc2c1 |
| InChI | InChI=1S/C13H13N3O2S3/c1-18-8-2-3-9-10(6-8)21-12(15-9)16-11(17)7-20-13-14-4-5-19-13/h2-3,6H,4-5,7H2,1H3,(H,15,16,17) |
| InChIKey | IAKKIHNNOHKIJQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(4,5-dihydrothiazol-2-ylthio)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CHEBI:114300) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25760 | LINCS |