EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C19H14ClF2N5O2S |
| Net Charge | 0 |
| Average Mass | 449.870 |
| Monoisotopic Mass | 449.05248 |
| SMILES | COC(=O)c1cnn(-c2ccc(F)cc2F)c1C=NNC(=S)Nc1ccc(Cl)cc1 |
| InChI | InChI=1S/C19H14ClF2N5O2S/c1-29-18(28)14-9-24-27(16-7-4-12(21)8-15(16)22)17(14)10-23-26-19(30)25-13-5-2-11(20)3-6-13/h2-10H,1H3,(H2,25,26,30) |
| InChIKey | RSLZFXYZLHFVJD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[[[(4-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-1-(2,4-difluorophenyl)-4-pyrazolecarboxylic acid methyl ester (CHEBI:93256) is a pyrazoles (CHEBI:26410) |
| 5-[[[(4-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-1-(2,4-difluorophenyl)-4-pyrazolecarboxylic acid methyl ester (CHEBI:93256) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3599 | LINCS |