EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H13N5S |
| Net Charge | 0 |
| Average Mass | 271.349 |
| Monoisotopic Mass | 271.08917 |
| SMILES | Cc1cc(-c2nnc(=S)n2-c2ccccc2)nn1C |
| InChI | InChI=1S/C13H13N5S/c1-9-8-11(16-17(9)2)12-14-15-13(19)18(12)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,19) |
| InChIKey | CZMJYYQHVSCJRX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(1,5-dimethyl-3-pyrazolyl)-4-phenyl-1H-1,2,4-triazole-5-thione (CHEBI:111393) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22849 | LINCS |