EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H26N4O2S |
| Net Charge | 0 |
| Average Mass | 458.587 |
| Monoisotopic Mass | 458.17765 |
| SMILES | COc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)NCc2ccccc2)cc1 |
| InChI | InChI=1S/C26H26N4O2S/c1-32-23-15-13-22(14-16-23)30-24(17-12-20-8-4-2-5-9-20)28-29-26(30)33-19-25(31)27-18-21-10-6-3-7-11-21/h2-11,13-16H,12,17-19H2,1H3,(H,27,31) |
| InChIKey | HICASLFWFAHBOB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[4-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide (CHEBI:121087) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32530 | LINCS |