EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H17N3O2S3 |
| Net Charge | 0 |
| Average Mass | 379.532 |
| Monoisotopic Mass | 379.04829 |
| SMILES | CCOc1ccc(-c2nc(CSc3nnc(C)s3)cs2)cc1OC |
| InChI | InChI=1S/C16H17N3O2S3/c1-4-21-13-6-5-11(7-14(13)20-3)15-17-12(8-22-15)9-23-16-19-18-10(2)24-16/h5-8H,4,9H2,1-3H3 |
| InChIKey | FQQDZAYAVCRXJU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methylthio]-5-methyl-1,3,4-thiadiazole (CHEBI:119928) is a methoxybenzenes (CHEBI:51683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31371 | LINCS |