EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H15NO2S3 |
| Net Charge | 0 |
| Average Mass | 325.480 |
| Monoisotopic Mass | 325.02649 |
| SMILES | Cc1ccsc1C=C1SC(=S)N(CC2CCCO2)C1=O |
| InChI | InChI=1S/C14H15NO2S3/c1-9-4-6-19-11(9)7-12-13(16)15(14(18)20-12)8-10-3-2-5-17-10/h4,6-7,10H,2-3,5,8H2,1H3 |
| InChIKey | PJPVQHJGBFTRDK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[(3-methyl-2-thiophenyl)methylidene]-3-(2-oxolanylmethyl)-2-sulfanylidene-4-thiazolidinone (CHEBI:116818) is a thiazolidines (CHEBI:35622) |
| 5-[(3-methyl-2-thiophenyl)methylidene]-3-(2-oxolanylmethyl)-2-sulfanylidene-4-thiazolidinone (CHEBI:116818) is a thiocarbonyl compound (CHEBI:50492) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28269 | LINCS |