AC1LUGRN
4-[4-(4-chlorophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide|4-[4-(4-chlorophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine|4-(4-(4-chlorophenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine|4-(4-chlorophenyl)-5-(4-pyridyl)-3-{[3-(trifluoromethyl)phenyl]methylthio}-1,2 ,4-triazole|4-[4-(4-chlorophenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine|4-[4-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine
| Molecular Formula | C21H14ClF3N4S |
|---|---|
| Molecular Weight | 446.05798 g/mol |
| LogP | 6.2938 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.05798 |
| Monoisotopic Mass | 446.05798 |
| Heavy Atoms | 30 |
| Complexity | 1145.1377 |
Chemical Identifiers
| CAS Number | 613226-05-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4 |
Product Overview
AC1LUGRN (CAS 613226-05-4), with molecular formula C21H14ClF3N4S and molecular weight 446.05798 g/mol. IUPAC: 4-[4-(4-chlorophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
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