EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H15N3OS2 |
| Net Charge | 0 |
| Average Mass | 329.450 |
| Monoisotopic Mass | 329.06565 |
| SMILES | CCCN1C(=O)C(=Cc2cnnc2-c2ccccc2)SC1=S |
| InChI | InChI=1S/C16H15N3OS2/c1-2-8-19-15(20)13(22-16(19)21)9-12-10-17-18-14(12)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3,(H,17,18) |
| InChIKey | VKBUYHLFYCQFIJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-3-propyl-2-sulfanylidene-4-thiazolidinone (CHEBI:122028) is a pyrazoles (CHEBI:26410) |
| 5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-3-propyl-2-sulfanylidene-4-thiazolidinone (CHEBI:122028) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33471 | LINCS |