EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H17N3S |
| Net Charge | 0 |
| Average Mass | 247.367 |
| Monoisotopic Mass | 247.11432 |
| SMILES | CCCCn1c(Cc2ccccc2)nnc1=S |
| InChI | InChI=1S/C13H17N3S/c1-2-3-9-16-12(14-15-13(16)17)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,17) |
| InChIKey | OCDFGWHAKIHFQG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-butyl-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione (CHEBI:115454) is a benzenes (CHEBI:22712) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26911 | LINCS |