EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H13N3O2S2 |
| Net Charge | 0 |
| Average Mass | 367.455 |
| Monoisotopic Mass | 367.04492 |
| SMILES | O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccccc2)cs1 |
| InChI | InChI=1S/C18H13N3O2S2/c22-16(11-25-18-20-13-8-4-5-9-15(13)23-18)21-17-19-14(10-24-17)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,21,22) |
| InChIKey | KEJYCNAYHHATKZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(1,3-benzoxazol-2-ylthio)-N-(4-phenyl-2-thiazolyl)acetamide (CHEBI:121850) is a benzoxazole (CHEBI:46700) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33293 | LINCS |