EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H12ClFN4OS |
| Net Charge | 0 |
| Average Mass | 362.817 |
| Monoisotopic Mass | 362.04044 |
| SMILES | Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNC(=O)c1cccs1 |
| InChI | InChI=1S/C16H12ClFN4OS/c1-10-13(9-19-20-16(23)14-3-2-8-24-14)15(17)22(21-10)12-6-4-11(18)5-7-12/h2-9H,1H3,(H,20,23) |
| InChIKey | GUSHJJVGBUVCGT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]methylideneamino]-2-thiophenecarboxamide (CHEBI:113230) is a pyrazoles (CHEBI:26410) |
| N-[[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]methylideneamino]-2-thiophenecarboxamide (CHEBI:113230) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24641 | LINCS |