EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H15F2N5O2S |
| Net Charge | 0 |
| Average Mass | 415.425 |
| Monoisotopic Mass | 415.09145 |
| SMILES | COC(=O)c1cnn(-c2ccc(F)cc2F)c1C=NNC(=S)Nc1ccccc1 |
| InChI | InChI=1S/C19H15F2N5O2S/c1-28-18(27)14-10-23-26(16-8-7-12(20)9-15(16)21)17(14)11-22-25-19(29)24-13-5-3-2-4-6-13/h2-11H,1H3,(H2,24,25,29) |
| InChIKey | HIGGKLHMWDDGKQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-(2,4-difluorophenyl)-4-pyrazolecarboxylic acid methyl ester (CHEBI:93546) is a pyrazoles (CHEBI:26410) |
| 5-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-(2,4-difluorophenyl)-4-pyrazolecarboxylic acid methyl ester (CHEBI:93546) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3979 | LINCS |