EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H21N3OS |
| Net Charge | 0 |
| Average Mass | 339.464 |
| Monoisotopic Mass | 339.14053 |
| SMILES | CNC(=S)N1N=C(c2ccc(C)cc2)CC1c1ccc(OC)cc1 |
| InChI | InChI=1S/C19H21N3OS/c1-13-4-6-14(7-5-13)17-12-18(22(21-17)19(24)20-2)15-8-10-16(23-3)11-9-15/h4-11,18H,12H2,1-3H3,(H,20,24) |
| InChIKey | XIJKEYVMOYKQGK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(4-methoxyphenyl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide (CHEBI:119986) is a methoxybenzenes (CHEBI:51683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31429 | LINCS |