EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H9N3OS |
| Net Charge | 0 |
| Average Mass | 255.302 |
| Monoisotopic Mass | 255.04663 |
| SMILES | Cc1ccccc1N1C(=O)CSC1=C(C#N)C#N |
| InChI | InChI=1S/C13H9N3OS/c1-9-4-2-3-5-11(9)16-12(17)8-18-13(16)10(6-14)7-15/h2-5H,8H2,1H3 |
| InChIKey | JSJJZYVAUBHMLJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[3-(2-methylphenyl)-4-oxo-2-thiazolidinylidene]propanedinitrile (CHEBI:116855) is a toluenes (CHEBI:27024) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28305 | LINCS |