EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H14N2S |
| Net Charge | 0 |
| Average Mass | 218.325 |
| Monoisotopic Mass | 218.08777 |
| SMILES | CCc1nc(=S)c(C#N)c2c1CCCC2 |
| InChI | InChI=1S/C12H14N2S/c1-2-11-9-6-4-3-5-8(9)10(7-13)12(15)14-11/h2-6H2,1H3,(H,14,15) |
| InChIKey | SCLRLTJBDNRRCW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-ethyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile (CHEBI:122121) is a pyridines (CHEBI:26421) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33564 | LINCS |