EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H12F3N5OS |
| Net Charge | 0 |
| Average Mass | 403.389 |
| Monoisotopic Mass | 403.07147 |
| SMILES | O=C(CSc1nnc2c(n1)nc1ccccc12)Nc1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C18H12F3N5OS/c19-18(20,21)10-4-3-5-11(8-10)22-14(27)9-28-17-24-16-15(25-26-17)12-6-1-2-7-13(12)23-16/h1-8H,9H2,(H,22,27)(H,23,24,26) |
| InChIKey | PTOOAUVDXYMOSW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-N-[3-(trifluoromethyl)phenyl]acetamide (CHEBI:94041) is a (trifluoromethyl)benzenes (CHEBI:83565) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4639 | LINCS |