EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H16N4S |
| Net Charge | 0 |
| Average Mass | 260.366 |
| Monoisotopic Mass | 260.10957 |
| SMILES | S=c1nnc(-c2cccnc2)n1C1CCCCC1 |
| InChI | InChI=1S/C13H16N4S/c18-13-16-15-12(10-5-4-8-14-9-10)17(13)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2,(H,16,18) |
| InChIKey | DLXNXOFBPGMUJI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-cyclohexyl-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione (CHEBI:125287) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36758 | LINCS |