3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine
3-[4-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-[4-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine|3-(4-(4-ETHOXYPHENYL)-5-((4-NITROBENZYL)SULFANYL)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE|3-(4-(4-ethoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine|3-[4-(4-ethoxyphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine|3-{4-(4-ethoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine|4-ethoxy-1-{3-[(4-nitrophenyl)methylthio]-5-(3-pyridyl)(1,2,4-triazol-4-yl)}be nzene
| Molecular Formula | C22H19N5O3S |
|---|---|
| Molecular Weight | 433.12085 g/mol |
| LogP | 4.9285 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 433.12085 |
| Monoisotopic Mass | 433.12085 |
| Heavy Atoms | 31 |
| Complexity | 1162.2429 |
Chemical Identifiers
| CAS Number | 613227-18-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4 |
Product Overview
3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine (CAS 613227-18-2), with molecular formula C22H19N5O3S and molecular weight 433.12085 g/mol. IUPAC: 3-[4-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.