EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C20H22BrN3OS |
| Net Charge | 0 |
| Average Mass | 432.387 |
| Monoisotopic Mass | 431.06670 |
| SMILES | CC12CCC(CC1=NNC1=NC(=O)C(=Cc3cccc(Br)c3)S1)C2(C)C |
| InChI | InChI=1S/C20H22BrN3OS/c1-19(2)13-7-8-20(19,3)16(11-13)23-24-18-22-17(25)15(26-18)10-12-5-4-6-14(21)9-12/h4-6,9-10,13H,7-8,11H2,1-3H3,(H,22,24,25) |
| InChIKey | XGBYPXJUPDRINW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[(3-bromophenyl)methylidene]-2-[2-(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanylidene)hydrazinyl]-4-thiazolone (CHEBI:115578) is a monoterpenoid (CHEBI:25409) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27035 | LINCS |