EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H18N6O2S2 |
| Net Charge | 0 |
| Average Mass | 426.527 |
| Monoisotopic Mass | 426.09327 |
| SMILES | Cc1sc(NC(=O)CSc2nc(N)n(CC(=O)c3ccccc3)n2)c(C#N)c1C |
| InChI | InChI=1S/C19H18N6O2S2/c1-11-12(2)29-17(14(11)8-20)22-16(27)10-28-19-23-18(21)25(24-19)9-15(26)13-6-4-3-5-7-13/h3-7H,9-10H2,1-2H3,(H,22,27)(H2,21,23,24) |
| InChIKey | PWUPOYJGWCHPDB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(5-amino-1-phenacyl-1,2,4-triazol-3-yl)thio]-N-(3-cyano-4,5-dimethyl-2-thiophenyl)acetamide (CHEBI:121862) is a aromatic ketone (CHEBI:76224) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33305 | LINCS |