| SpectraBase Spectrum ID |
F6F65bkc9Wu |
| Name |
Ethyl 7-(4-chlorophenyl)-2-methylthio-5-trifluoromethyl-4,7-dihydro-1,2,4-triazolo[1,5-A]pyrimidine-6-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.047809068 u |
| Formula |
C16H14ClF3N4O2S |
| InChI |
InChI=1S/C16H14ClF3N4O2S/c1-3-26-13(25)10-11(8-4-6-9(17)7-5-8)24-14(22-15(23-24)27-2)21-12(10)16(18,19)20/h4-7,11H,3H2,1-2H3,(H,21,22,23) |
| InChIKey |
NEVUTKUVXVBZLT-UHFFFAOYSA-N |
| Molecular Weight |
418.822 g/mol |
| SMILES |
C1=2N(C(C3=CC=C(C=C3)Cl)C(=C(N1)C(F)(F)F)C(=O)OCC)N=C(N2)SC |
![Ethyl 7-(4-chlorophenyl)-2-methylthio-5-trifluoromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate](/api/spectrum/F6F65bkc9Wu/structure.png?h=300&w=458 "Ethyl 7-(4-chlorophenyl)-2-methylthio-5-trifluoromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate")
