AC1LU0W9
2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 2-((4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone|2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone|2-((4-(4-ETHOXY-PH)-5-(3-PYRIDINYL)4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-1-PH-ETHANONE|2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one|2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
| Molecular Formula | C23H20N4O2S |
|---|---|
| Molecular Weight | 416.1307 g/mol |
| LogP | 4.703 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.1307 |
| Monoisotopic Mass | 416.1307 |
| Heavy Atoms | 30 |
| Complexity | 1113.1754 |
Chemical Identifiers
| CAS Number | 613227-29-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)C4=CN=CC=C4 |
Product Overview
AC1LU0W9 (CAS 613227-29-5), with molecular formula C23H20N4O2S and molecular weight 416.1307 g/mol. IUPAC: 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
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