5LU
Summary
| Name: | Prochloraz |
| Synonyms: | ~{N}-propyl-~{N}-[2-[2,4,6-tris(chloranyl)phenoxy]ethyl]imidazole-1-carboxamide |
| Formula: | C15 H16 Cl3 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 376.665 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-propyl-~{N}-[2-[2,4,6-tris(chloranyl)phenoxy]ethyl]imidazole-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3 |
| InChIKey | InChI | 1.03 | TVLSRXXIMLFWEO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2 |
| SMILES | CACTVS | 3.385 | CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2 |
