EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H15N3O2S2 |
| Net Charge | 0 |
| Average Mass | 321.427 |
| Monoisotopic Mass | 321.06057 |
| SMILES | CCc1ccc(Nc2nnc(SC3CCOC3=O)s2)cc1 |
| InChI | InChI=1S/C14H15N3O2S2/c1-2-9-3-5-10(6-4-9)15-13-16-17-14(21-13)20-11-7-8-19-12(11)18/h3-6,11H,2,7-8H2,1H3,(H,15,16) |
| InChIKey | SPYVAJANGRMILJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]thio]-2-oxolanone (CHEBI:116475) is a aryl sulfide (CHEBI:35683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27929 | LINCS |