EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C13H11N3O3S |
| Net Charge | 0 |
| Average Mass | 289.316 |
| Monoisotopic Mass | 289.05211 |
| SMILES | Cc1ccnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1 |
| InChI | InChI=1S/C13H11N3O3S/c1-9-5-6-14-13(15-9)20-8-12(17)10-3-2-4-11(7-10)16(18)19/h2-7H,8H2,1H3 |
| InChIKey | YCTJDGGSVYNCHN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(4-methyl-2-pyrimidinyl)thio]-1-(3-nitrophenyl)ethanone (CHEBI:109460) is a aromatic ketone (CHEBI:76224) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20857 | LINCS |