EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H10N2S |
| Net Charge | 0 |
| Average Mass | 214.293 |
| Monoisotopic Mass | 214.05647 |
| SMILES | CC(C)=C(C#N)c1nc2ccccc2s1 |
| InChI | InChI=1S/C12H10N2S/c1-8(2)9(7-13)12-14-10-5-3-4-6-11(10)15-12/h3-6H,1-2H3 |
| InChIKey | LFRAFAQWIPZCRG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1,3-benzothiazol-2-yl)-3-methyl-2-butenenitrile (CHEBI:109080) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20478 | LINCS |