AC1Q2IPX
4-[4-(4-chlorophenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 4-{4-(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine|3-[(2,5-dimethylphenyl)methylthio]-4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-tria zole|4-(4-(4-chlorophenyl)-5-((2,5-dimethylbenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine|4-[4-(4-chlorophenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine|4-[4-(4-chlorophenyl)-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine
| Molecular Formula | C22H19ClN4S |
|---|---|
| Molecular Weight | 406.1019 g/mol |
| LogP | 5.89184 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.1019 |
| Monoisotopic Mass | 406.1019 |
| Heavy Atoms | 28 |
| Complexity | 1091.4872 |
Chemical Identifiers
| CAS Number | 613226-06-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4 |
Product Overview
AC1Q2IPX (CAS 613226-06-5), with molecular formula C22H19ClN4S and molecular weight 406.1019 g/mol. IUPAC: 4-[4-(4-chlorophenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
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