AC1Q4INU
2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-((4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide|2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide|2-[5-(4-chlorophenyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthio)]-N-[4-chloro-3-(tr ifluoromethyl)phenyl]acetamide|2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide|N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C20H15Cl2F3N4OS |
|---|---|
| Molecular Weight | 486.02957 g/mol |
| LogP | 6.1875 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.02957 |
| Monoisotopic Mass | 486.02957 |
| Heavy Atoms | 31 |
| Complexity | 1100.7947 |
Chemical Identifiers
| CAS Number | 862186-06-9 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=C(C=C3)Cl |
Product Overview
AC1Q4INU (CAS 862186-06-9), with molecular formula C20H15Cl2F3N4OS and molecular weight 486.02957 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
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