EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H19N5OS2 |
| Net Charge | 0 |
| Average Mass | 421.551 |
| Monoisotopic Mass | 421.10310 |
| SMILES | CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1 |
| InChI | InChI=1S/C21H19N5OS2/c1-2-26-19(16-11-7-4-8-12-16)24-25-21(26)29-14-18(27)23-20-22-17(13-28-20)15-9-5-3-6-10-15/h3-13H,2,14H2,1H3,(H,22,23,27) |
| InChIKey | XRYPMVLEDGPSQH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-phenyl-2-thiazolyl)acetamide (CHEBI:105234) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16597 | LINCS |