EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H14N6S |
| Net Charge | 0 |
| Average Mass | 298.375 |
| Monoisotopic Mass | 298.10007 |
| SMILES | Cn1c(CCc2nc3ccccc3n2)nnc1SCC#N |
| InChI | InChI=1S/C14H14N6S/c1-20-13(18-19-14(20)21-9-8-15)7-6-12-16-10-4-2-3-5-11(10)17-12/h2-5H,6-7,9H2,1H3,(H,16,17) |
| InChIKey | FEHWORQCIIAXDF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetonitrile (CHEBI:121817) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33260 | LINCS |