Account Methyl 4-{[(5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate
- Catalog No. :
- ACQNCN016
- CAS No. :
- 956441-48-8
- Molecular Formula :
- C22H19F3N6O2S2
- Molecular Weight :
- 520.56
IUPAC Name:methyl 4-(((4-allyl-5-(2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazol-4-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoate
![Methyl 4-{[(5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Methyl 4-{[(5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate |
|---|---|
| IUPAC Name | methyl 4-(((4-allyl-5-(2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazol-4-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoate |
| MDL No. | MFCD05668878 |
| Molecular Formula | C22H19F3N6O2S2 |
| Molecular Weight | 520.56 |
| SMILES | O=C(OC)C1=CC=C(CSC2=NN=C(C3=CSC(N4N=C(C)C=C4C(F)(F)F)=N3)N2CC=C)C=C1 |
| InChI Key | HCGOJNSDFXXNGR-UHFFFAOYSA-N |
| Synonym | METHYL 4-([(4-ALLYL-5-(2-[3-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]-1,3-THIAZOL-4-YL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]METHYL)BENZENECARBOXYLATE;methyl 4-{[(5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate;Benzoic acid, 4-[[[5-[2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-thiazolyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]methyl]-, methyl ester |
| CAS No. | 956441-48-8 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACQNCN016 Molecular Building Block Synthetic Route
4-{[(5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
3-{[(4-fluorophenyl)methyl]sulfanyl}-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Methyl 4-{[(4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate