5L9
Summary
| Name: | (2~{S})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol |
| Synonyms: | S-desthio-prothioconazole |
| Formula: | C14 H15 Cl2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 312.194 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | HHUQPWODPBDTLI-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@](Cn1cncn1)(Cc2ccccc2Cl)C3(Cl)CC3 |
| SMILES | CACTVS | 3.385 | O[C](Cn1cncn1)(Cc2ccccc2Cl)C3(Cl)CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(c(c1)C[C@](Cn2cncn2)(C3(CC3)Cl)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(c(c1)CC(Cn2cncn2)(C3(CC3)Cl)O)Cl |
