EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H18N4OS |
| Net Charge | 0 |
| Average Mass | 386.480 |
| Monoisotopic Mass | 386.12013 |
| SMILES | CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)nnc2c1 |
| InChI | InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26) |
| InChIKey | RITAVMQDGBJQJZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-methyl-2-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide (CHEBI:94568) is a aryl sulfide (CHEBI:35683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5438 | LINCS |