EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H13N5O3S |
| Net Charge | 0 |
| Average Mass | 355.379 |
| Monoisotopic Mass | 355.07391 |
| SMILES | O=[N+]([O-])c1ccccc1C=Nn1c(COc2ccccc2)nnc1=S |
| InChI | InChI=1S/C16H13N5O3S/c22-21(23)14-9-5-4-6-12(14)10-17-20-15(18-19-16(20)25)11-24-13-7-2-1-3-8-13/h1-10H,11H2,(H,19,25) |
| InChIKey | OMPGJOQTZBOCKG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(2-nitrophenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione (CHEBI:121685) is a C-nitro compound (CHEBI:35716) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33128 | LINCS |