EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H20ClN3O3S |
| Net Charge | 0 |
| Average Mass | 441.940 |
| Monoisotopic Mass | 441.09139 |
| SMILES | COc1ccc(-c2csc(C3=C(N)N(Cc4ccc(Cl)cc4)CC3=O)n2)cc1OC |
| InChI | InChI=1S/C22H20ClN3O3S/c1-28-18-8-5-14(9-19(18)29-2)16-12-30-22(25-16)20-17(27)11-26(21(20)24)10-13-3-6-15(23)7-4-13/h3-9,12H,10-11,24H2,1-2H3 |
| InChIKey | COLZYMFYUKUCRH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-amino-1-[(4-chlorophenyl)methyl]-4-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-2H-pyrrol-3-one (CHEBI:121617) is a dimethoxybenzene (CHEBI:51681) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33060 | LINCS |