EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H17N5O2S2 |
| Net Charge | 0 |
| Average Mass | 411.512 |
| Monoisotopic Mass | 411.08237 |
| SMILES | COc1ccc(-c2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1 |
| InChI | InChI=1S/C19H17N5O2S2/c1-24-17(12-7-9-13(26-2)10-8-12)22-23-19(24)27-11-16(25)21-18-20-14-5-3-4-6-15(14)28-18/h3-10H,11H2,1-2H3,(H,20,21,25) |
| InChIKey | PYSKJATUHYOBIU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(1,3-benzothiazol-2-yl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide (CHEBI:121185) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32628 | LINCS |