EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H15BrFN3O2S |
| Net Charge | 0 |
| Average Mass | 412.284 |
| Monoisotopic Mass | 411.00524 |
| SMILES | COc1cc(C=NNC(N)=S)cc(Br)c1OCc1ccccc1F |
| InChI | InChI=1S/C16H15BrFN3O2S/c1-22-14-7-10(8-20-21-16(19)24)6-12(17)15(14)23-9-11-4-2-3-5-13(11)18/h2-8H,9H2,1H3,(H3,19,21,24) |
| InChIKey | DWEHQOULYWLDKU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]thiourea (CHEBI:120044) is a methoxybenzenes (CHEBI:51683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31487 | LINCS |