AC1LR9PJ
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone
Also Known As: 2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethanone|2-((4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone|2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone|2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone|2-[4-(4-ethoxyphenyl)-5-(3-pyridyl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one|2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethan-1-one
| Molecular Formula | C27H22N4O2S |
|---|---|
| Molecular Weight | 466.14636 g/mol |
| LogP | 5.8562 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.14636 |
| Monoisotopic Mass | 466.14636 |
| Heavy Atoms | 34 |
| Complexity | 1432.5428 |
Chemical Identifiers
| CAS Number | 613227-50-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC4=CC=CC=C4C=C3)C5=CN=CC=C5 |
Product Overview
AC1LR9PJ (CAS 613227-50-2), with molecular formula C27H22N4O2S and molecular weight 466.14636 g/mol. IUPAC: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone.