EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H12N2O2S |
| Net Charge | 0 |
| Average Mass | 248.307 |
| Monoisotopic Mass | 248.06195 |
| SMILES | O=C(Nc1nc2ccccc2s1)C1CCCO1 |
| InChI | InChI=1S/C12H12N2O2S/c15-11(9-5-3-7-16-9)14-12-13-8-4-1-2-6-10(8)17-12/h1-2,4,6,9H,3,5,7H2,(H,13,14,15) |
| InChIKey | MPAIHQCCOOPREO-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(1,3-benzothiazol-2-yl)-2-oxolanecarboxamide (CHEBI:123235) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34677 | LINCS |