FJQ
Summary
| Name: | Tioconazole |
| Formula: | C16 H13 Cl3 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 387.711 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[(2~{R})-2-[(2-chloranylthiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | QXHHHPZILQDDPS-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc([C@H](Cn2ccnc2)OCc3ccsc3Cl)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | Clc1ccc([CH](Cn2ccnc2)OCc3ccsc3Cl)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1Cl)Cl)[C@H](Cn2ccnc2)OCc3ccsc3Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1Cl)Cl)C(Cn2ccnc2)OCc3ccsc3Cl |
