| SpectraBase Spectrum ID |
32HrwKGUyOD |
| Name |
4-[5-(4-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-2-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H11ClF3N5O2S |
| InChI |
InChI=1S/C16H11ClF3N5O2S/c1-2-27-13(26)10-7-21-14(16(18,19)20)23-12(10)28-15-22-11(24-25-15)8-3-5-9(17)6-4-8/h3-7H,2H2,1H3,(H,22,24,25) |
| InChIKey |
IGZZAYQLSPWPPT-UHFFFAOYSA-N |
| Molecular Weight |
429.805 g/mol |
| SMILES |
[nH]1c(nnc1Sc1nc(C(F)(F)F)ncc1C(=O)OCC)-c1ccc(cc1)Cl |
| SPLASH |
splash10-0f7t-9705000000-03d5e1c217454823b9eb |
| Synonyms |
Ethyl 4-{[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2-(trifluoromethyl)-5-pyrimidinecarboxylate |
| Wiley ID |
1454392 |
![4-[5-(4-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-2-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl ester](/api/spectrum/32HrwKGUyOD/structure.png?h=300&w=458 "4-[5-(4-chloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-2-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl ester")
