Account 4-((1E,3E)-4-(5-(((2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thio)-1,3-dioxan-2-yl)buta-1,3-dien-1-yl)-3-fluorobenzonitrile
- Catalog No. :
- ACYOMS573
- CAS No. :
- 329744-44-7
- Molecular Formula :
- C27H25F3N4O3S
- Molecular Weight :
- 542.58
IUPAC Name:4-((1E,3E)-4-(5-(((2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thio)-1,3-dioxan-2-yl)buta-1,3-dien-1-yl)-3-fluorobenzonitrile
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Product Information
| Product Name | 4-((1E,3E)-4-(5-(((2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thio)-1,3-dioxan-2-yl)buta-1,3-dien-1-yl)-3-fluorobenzonitrile |
|---|---|
| IUPAC Name | 4-((1E,3E)-4-(5-(((2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thio)-1,3-dioxan-2-yl)buta-1,3-dien-1-yl)-3-fluorobenzonitrile |
| MDL No. | MFCD30747931 |
| Molecular Formula | C27H25F3N4O3S |
| Molecular Weight | 542.58 |
| SMILES | C[C@@H](SC1COC(/C=C/C=C/C2=C(F)C=C(C#N)C=C2)OC1)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1 |
| InChI Key | XSRKBFUVSRRJDX-ILLAMVBCSA-N |
| Synonym | embeconazole;CS-758, R-120758;trans-4-[4-[5-[2(R)-(2,4-Difluorophenyl)-2-hydroxy-1(R)-Methyl-3-(1H-1,2,4-triazol-1-yl)propylsulfanyl]-1,3-dioxan-2-yl]-1(E),3(E)-butadienyl]-3-fluorobenzonitrile;Benzonitrile, 4-[(1E,3E)-4-[trans-5-[[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]thio]-1,3-dioxan-2-yl]-1,3-butadien-1-yl]-3-fluoro- |
| CAS No. | 329744-44-7 |
Synthetic Route by SureRoute
2. ACYOMS573 Molecular Building Block Synthetic Route
1-(((2S,3R)-2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole
1-{[(2R,3S)-2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl]methyl}-1H-1,2,4-triazole
1-(((2S,3S)-2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole