EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H20N6O3S2 |
| Net Charge | 0 |
| Average Mass | 492.586 |
| Monoisotopic Mass | 492.10383 |
| SMILES | Cc1cc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2-c2ccccc2C)no1 |
| InChI | InChI=1S/C23H20N6O3S2/c1-14-7-3-4-8-16(14)29-20(12-28-17-9-5-6-10-18(17)34-23(28)31)25-26-22(29)33-13-21(30)24-19-11-15(2)32-27-19/h3-11H,12-13H2,1-2H3,(H,24,27,30) |
| InChIKey | AIJXENIASDJLKH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(5-methyl-3-isoxazolyl)-2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamide (CHEBI:107468) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18823 | LINCS |