EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H16N2O3S |
| Net Charge | 0 |
| Average Mass | 376.437 |
| Monoisotopic Mass | 376.08816 |
| SMILES | COc1ccccc1-c1cc(-c2ccccc2)nc(SCC(=O)O)c1C#N |
| InChI | InChI=1S/C21H16N2O3S/c1-26-19-10-6-5-9-15(19)16-11-18(14-7-3-2-4-8-14)23-21(17(16)12-22)27-13-20(24)25/h2-11H,13H2,1H3,(H,24,25) |
| InChIKey | HXHZNFAFHFRUIE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]acetic acid (CHEBI:121201) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32644 | LINCS |