EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H16N4O3S2 |
| Net Charge | 0 |
| Average Mass | 412.496 |
| Monoisotopic Mass | 412.06638 |
| SMILES | Cc1onc(-c2ccccc2)c1C(=O)NNC(=S)NC(=O)C=Cc1cccs1 |
| InChI | InChI=1S/C19H16N4O3S2/c1-12-16(17(23-26-12)13-6-3-2-4-7-13)18(25)21-22-19(27)20-15(24)10-9-14-8-5-11-28-14/h2-11H,1H3,(H,21,25)(H2,20,22,24,27) |
| InChIKey | MIMKBKGPDPZVSW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-thiophen-2-yl-2-propenamide (CHEBI:116377) is a benzenes (CHEBI:22712) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27831 | LINCS |