EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H18N2O3S |
| Net Charge | 0 |
| Average Mass | 318.398 |
| Monoisotopic Mass | 318.10381 |
| SMILES | CCC(=O)C1(Sc2nc3ccccc3n2)CC(C)(C)OC1=O |
| InChI | InChI=1S/C16H18N2O3S/c1-4-12(19)16(9-15(2,3)21-13(16)20)22-14-17-10-7-5-6-8-11(10)18-14/h5-8H,4,9H2,1-3H3,(H,17,18) |
| InChIKey | QBYZXABEUVABIV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(1H-benzimidazol-2-ylthio)-5,5-dimethyl-3-(1-oxopropyl)-2-oxolanone (CHEBI:125434) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36925 | LINCS |