EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H17N3O2S |
| Net Charge | 0 |
| Average Mass | 303.387 |
| Monoisotopic Mass | 303.10415 |
| SMILES | COc1ccc(C2(C(=O)Nc3nncs3)CCCC2)cc1 |
| InChI | InChI=1S/C15H17N3O2S/c1-20-12-6-4-11(5-7-12)15(8-2-3-9-15)13(19)17-14-18-16-10-21-14/h4-7,10H,2-3,8-9H2,1H3,(H,17,18,19) |
| InChIKey | WKXOWZIRSJGNSU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)-1-cyclopentanecarboxamide (CHEBI:109328) is a acetamides (CHEBI:22160) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20726 | LINCS |