EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H16N6OS2 |
| Net Charge | 0 |
| Average Mass | 396.501 |
| Monoisotopic Mass | 396.08270 |
| SMILES | CCc1nnc(NC(=O)CSc2ccc(-c3nc4ccccc4n3)cn2)s1 |
| InChI | InChI=1S/C18H16N6OS2/c1-2-15-23-24-18(27-15)22-14(25)10-26-16-8-7-11(9-19-16)17-20-12-5-3-4-6-13(12)21-17/h3-9H,2,10H2,1H3,(H,20,21)(H,22,24,25) |
| InChIKey | XNFITKQJNDDRLR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CHEBI:113241) is a benzimidazoles (CHEBI:22715) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24652 | LINCS |