EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H16N4OS3 |
| Net Charge | 0 |
| Average Mass | 436.587 |
| Monoisotopic Mass | 436.04862 |
| SMILES | N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 |
| InChI | InChI=1S/C21H16N4OS3/c22-10-13-7-8-16(18-6-3-9-27-18)24-20(13)28-12-19(26)25-21-15(11-23)14-4-1-2-5-17(14)29-21/h3,6-9H,1-2,4-5,12H2,(H,25,26) |
| InChIKey | SSOLHIWTHLMYQB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)thio]acetamide (CHEBI:94142) is a aromatic amide (CHEBI:62733) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4755 | LINCS |