EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H12N4O4S2 |
| Net Charge | 0 |
| Average Mass | 448.485 |
| Monoisotopic Mass | 448.03000 |
| SMILES | N#CC(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1nc(-c2cccs2)cs1 |
| InChI | InChI=1S/C21H12N4O4S2/c22-11-13(20(26)24-21-23-16(12-31-21)19-6-3-9-30-19)10-14-7-8-18(29-14)15-4-1-2-5-17(15)25(27)28/h1-10,12H,(H,23,24,26) |
| InChIKey | WJEGUJCOTMRGFR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-cyano-3-[5-(2-nitrophenyl)-2-furanyl]-N-(4-thiophen-2-yl-2-thiazolyl)-2-propenamide (CHEBI:120560) is a C-nitro compound (CHEBI:35716) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32003 | LINCS |