EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H8N4O3S |
| Net Charge | 0 |
| Average Mass | 312.310 |
| Monoisotopic Mass | 312.03171 |
| SMILES | N#CC(C(=O)c1ccc([N+](=O)[O-])s1)c1nc2ccccc2n1 |
| InChI | InChI=1S/C14H8N4O3S/c15-7-8(13(19)11-5-6-12(22-11)18(20)21)14-16-9-3-1-2-4-10(9)17-14/h1-6,8H,(H,16,17) |
| InChIKey | LTSNJDPUVBCHMP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-28507 (CHEBI:117060) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28507 | LINCS |