2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
2-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
Also Known As: CBKinase1_009106|CBKinase1_021506|BRD-K13690044-001-01-4|2-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine|2-(5-((4-nitrobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine|2-{5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}pyridine|3-[(4-nitrophenyl)methylthio]-4-phenyl-5-(2-pyridyl)-1,2,4-triazole|2-(5-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine
| Molecular Formula | C20H15N5O2S |
|---|---|
| Molecular Weight | 389.09464 g/mol |
| LogP | 4.5298 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.09464 |
| Monoisotopic Mass | 389.09464 |
| Heavy Atoms | 28 |
| Complexity | 1082.8063 |
Chemical Identifiers
| CAS Number | 712282-59-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=N4 |
Product Overview
2-[5-[(4-Nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine (CAS 712282-59-2), with molecular formula C20H15N5O2S and molecular weight 389.09464 g/mol. IUPAC: 2-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine.