EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H13ClN6O3S2 |
| Net Charge | 0 |
| Average Mass | 436.906 |
| Monoisotopic Mass | 436.01791 |
| SMILES | Cn1c(SCC(=O)NN=Cc2ccc([N+](=O)[O-])s2)nnc1-c1ccc(Cl)cc1 |
| InChI | InChI=1S/C16H13ClN6O3S2/c1-22-15(10-2-4-11(17)5-3-10)20-21-16(22)27-9-13(24)19-18-8-12-6-7-14(28-12)23(25)26/h2-8H,9H2,1H3,(H,19,24) |
| InChIKey | HSXDVXSIMYPYTJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-[(5-nitro-2-thiophenyl)methylideneamino]acetamide (CHEBI:95329) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6693 | LINCS |