EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H21N3O3S |
| Net Charge | 0 |
| Average Mass | 359.451 |
| Monoisotopic Mass | 359.13036 |
| SMILES | COc1ccc(-c2ccc(SCC(=O)N3CCCC3)nn2)cc1OC |
| InChI | InChI=1S/C18H21N3O3S/c1-23-15-7-5-13(11-16(15)24-2)14-6-8-17(20-19-14)25-12-18(22)21-9-3-4-10-21/h5-8,11H,3-4,9-10,12H2,1-2H3 |
| InChIKey | VCSBLUOZMMRJMH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone (CHEBI:120424) is a pyridazines (CHEBI:37921) |
| 2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone (CHEBI:120424) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31867 | LINCS |