| PDB CCD ID: | 2RD |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H27 N3 O2 S |
| InChI: | InChI=1S/C15H27N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-21-14-13(15(19)20)16-18-17-14/h2-12H2,1H3,(H,19,20)(H,16,17,18) |
| InChIKey: | IEZPFPQAXAREGM-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CCCCCCCCCCCCSc1[nH]nnc1C(O)=O | | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCSc1c(nn[nH]1)C(=O)O | | ACDLabs 10.04 | O=C(O)c1nnnc1SCCCCCCCCCCCC |
|
| Name: | 5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid;
4-carboxy-5-dodecylsulfanyl-1,2,3-triazole |
| ChEMBL: | CHEMBL1229989 |
| DrugBank: | DB06979 |
| ZINC: | ZINC000016052525 |
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