EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H19N5O2S2 |
| Net Charge | 0 |
| Average Mass | 425.539 |
| Monoisotopic Mass | 425.09802 |
| SMILES | Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCc1ccccc1 |
| InChI | InChI=1S/C20H19N5O2S2/c1-24-17(12-25-15-9-5-6-10-16(15)29-20(25)27)22-23-19(24)28-13-18(26)21-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,26) |
| InChIKey | PDMXPMZZDRHWNE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide (CHEBI:105145) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16508 | LINCS |