EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H11ClN4S |
| Net Charge | 0 |
| Average Mass | 338.823 |
| Monoisotopic Mass | 338.03930 |
| SMILES | S=c1nnc(-c2ccc3ccccc3n2)n1-c1ccc(Cl)cc1 |
| InChI | InChI=1S/C17H11ClN4S/c18-12-6-8-13(9-7-12)22-16(20-21-17(22)23)15-10-5-11-3-1-2-4-14(11)19-15/h1-10H,(H,21,23) |
| InChIKey | NEUZYMNJUNTSIF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(4-chlorophenyl)-3-(2-quinolinyl)-1H-1,2,4-triazole-5-thione (CHEBI:115642) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27099 | LINCS |