EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H18ClN5O4S2 |
| Net Charge | 0 |
| Average Mass | 443.938 |
| Monoisotopic Mass | 443.04887 |
| SMILES | Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1=O |
| InChI | InChI=1S/C16H18ClN5O4S2/c1-11-15(24)18-16(20-19-11)27-10-14(23)21-6-8-22(9-7-21)28(25,26)13-4-2-12(17)3-5-13/h2-5H,6-10H2,1H3,(H,18,20,24) |
| InChIKey | INXLTEBJWFQKPN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-6-methyl-2H-1,2,4-triazin-5-one (CHEBI:105065) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16428 | LINCS |