EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H12N4OS |
| Net Charge | 0 |
| Average Mass | 308.366 |
| Monoisotopic Mass | 308.07318 |
| SMILES | COc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1 |
| InChI | InChI=1S/C16H12N4OS/c1-21-13-9-7-12(8-10-13)15-19-20-14(17-18-16(20)22-15)11-5-3-2-4-6-11/h2-10H,1H3 |
| InChIKey | OYYTYUQHNVLXFT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-(4-methoxyphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CHEBI:111355) is a triazolothiadiazole (CHEBI:140920) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22811 | LINCS |