EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H16BrN3O2S2 |
| Net Charge | 0 |
| Average Mass | 498.427 |
| Monoisotopic Mass | 496.98673 |
| SMILES | O=C(CSc1nc2ccc(NC=C3C=C(Br)C=CC3=O)cc2s1)Nc1ccccc1 |
| InChI | InChI=1S/C22H16BrN3O2S2/c23-15-6-9-19(27)14(10-15)12-24-17-7-8-18-20(11-17)30-22(26-18)29-13-21(28)25-16-4-2-1-3-5-16/h1-12,24H,13H2,(H,25,28) |
| InChIKey | HYCZTHJKDLJENK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[6-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1,3-benzothiazol-2-yl]thio]-N-phenylacetamide (CHEBI:94034) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4629 | LINCS |