EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20Cl2N4OS |
| Net Charge | 0 |
| Average Mass | 435.380 |
| Monoisotopic Mass | 434.07349 |
| SMILES | Clc1ccc(CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1Cl |
| InChI | InChI=1S/C20H20Cl2N4OS/c21-17-7-6-15(12-18(17)22)14-28-20-24-23-19(13-25-8-10-27-11-9-25)26(20)16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2 |
| InChIKey | NCTPFNXFPVJBQH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[[5-[(3,4-dichlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]morpholine (CHEBI:108143) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19520 | LINCS |