EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H19N3S |
| Net Charge | 0 |
| Average Mass | 297.427 |
| Monoisotopic Mass | 297.12997 |
| SMILES | CC1(CCc2ccccc2)NC(=S)N(c2ccccc2)N1 |
| InChI | InChI=1S/C17H19N3S/c1-17(13-12-14-8-4-2-5-9-14)18-16(21)20(19-17)15-10-6-3-7-11-15/h2-11,19H,12-13H2,1H3,(H,18,21) |
| InChIKey | VXNOGTKFWDNXCN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-methyl-2-phenyl-5-(2-phenylethyl)-1,2,4-triazolidine-3-thione (CHEBI:105039) is a benzenes (CHEBI:22712) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16402 | LINCS |