EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H14N2S2 |
| Net Charge | 0 |
| Average Mass | 250.392 |
| Monoisotopic Mass | 250.05984 |
| SMILES | CCCCc1ccc(C=C(C#N)C(N)=S)s1 |
| InChI | InChI=1S/C12H14N2S2/c1-2-3-4-10-5-6-11(16-10)7-9(8-13)12(14)15/h5-7H,2-4H2,1H3,(H2,14,15) |
| InChIKey | SBUVOAYIBFERCL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(5-butyl-2-thiophenyl)-2-cyano-2-propenethioamide (CHEBI:108394) is a thiophenes (CHEBI:26961) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19770 | LINCS |