Account 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
- Catalog No. :
- ACIUTG404
- CAS No. :
- 956356-94-8
- Molecular Formula :
- C21H17F3N6O2S2
- Molecular Weight :
- 506.54
IUPAC Name: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)benzoic acid
![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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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)benzoic acid |
| MDL No. | MFCD05668883 |
| Molecular Formula | C21H17F3N6O2S2 |
| Molecular Weight | 506.54 |
| SMILES | O=C(O)C1=CC=C(CSC2=NN=C(C3=CSC(N4N=C(C)C=C4C(F)(F)F)=N3)N2CC=C)C=C1 |
| InChI Key | OQMIHYDUJOYCLD-UHFFFAOYSA-N |
| Synonym | 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)BENZENECARBOXYLIC ACID;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;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]- |
| CAS No. | 956356-94-8 |
Synthetic Route by SureRoute
2. ACIUTG404 Molecular Building Block Synthetic Route
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
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
3-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-5-{[(3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole