EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H16ClN3O2S |
| Net Charge | 0 |
| Average Mass | 409.898 |
| Monoisotopic Mass | 409.06518 |
| SMILES | O=c1c(-c2nnc(SCc3ccc(Cl)cc3)o2)cccn1Cc1ccccc1 |
| InChI | InChI=1S/C21H16ClN3O2S/c22-17-10-8-16(9-11-17)14-28-21-24-23-19(27-21)18-7-4-12-25(20(18)26)13-15-5-2-1-3-6-15/h1-12H,13-14H2 |
| InChIKey | ZTSBHBIEADMSQQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-1-(phenylmethyl)-2-pyridinone (CHEBI:109140) is a aryl sulfide (CHEBI:35683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20538 | LINCS |