EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H18BrN3O2S |
| Net Charge | 0 |
| Average Mass | 456.365 |
| Monoisotopic Mass | 455.03031 |
| SMILES | NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccc(Br)cc2)cc1 |
| InChI | InChI=1S/C21H18BrN3O2S/c22-17-8-6-16(7-9-17)21-14-20(15-4-2-1-3-5-15)24-25(21)18-10-12-19(13-11-18)28(23,26)27/h1-13,21H,14H2,(H2,23,26,27) |
| InChIKey | XGGIHZZGQLXCAR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CHEBI:91892) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1828 | LINCS |