EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H11N3O2S |
| Net Charge | 0 |
| Average Mass | 261.306 |
| Monoisotopic Mass | 261.05720 |
| SMILES | Cc1cc(C)n(C2=NS(=O)(=O)c3ccccc32)n1 |
| InChI | InChI=1S/C12H11N3O2S/c1-8-7-9(2)15(13-8)12-10-5-3-4-6-11(10)18(16,17)14-12/h3-7H,1-2H3 |
| InChIKey | MHSYGIYISFNELB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(3,5-dimethyl-1-pyrazolyl)-1,2-benzothiazole 1,1-dioxide (CHEBI:119875) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31319 | LINCS |