EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H19F2NO3S |
| Net Charge | 0 |
| Average Mass | 427.472 |
| Monoisotopic Mass | 427.10537 |
| SMILES | O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(SC(F)F)cc1 |
| InChI | InChI=1S/C23H19F2NO3S/c24-23(25)30-19-12-10-18(11-13-19)26-21(27)15-29-22(28)20-9-5-4-8-17(20)14-16-6-2-1-3-7-16/h1-13,23H,14-15H2,(H,26,27) |
| InChIKey | ZUAFFQHNJXBZDL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(phenylmethyl)benzoic acid [2-[4-(difluoromethylthio)anilino]-2-oxoethyl] ester (CHEBI:114914) is a diarylmethane (CHEBI:51614) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26377 | LINCS |