2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone
Also Known As: CBKinase1_007388|CBKinase1_019788|VU0618403-1|F3394-1156|SR-01000280153-1|BRD-K48832129-001-01-9|2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethan-1-one|2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone|2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone|2-(5-amino-1H-1,2,4-triazol-3-ylthio)-1-(p-phenoxyphenyl)-1-ethanone|2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(4-phenoxyphenyl)ethanone
| Molecular Formula | C16H14N4O2S |
|---|---|
| Molecular Weight | 326.08374 g/mol |
| LogP | 3.1542 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.08374 |
| Monoisotopic Mass | 326.08374 |
| Heavy Atoms | 23 |
| Complexity | 787.3546 |
Chemical Identifiers
| CAS Number | 690646-46-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CSC3=NNC(=N3)N |
Product Overview
2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(4-phenoxyphenyl)ethanone (CAS 690646-46-9), with molecular formula C16H14N4O2S and molecular weight 326.08374 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone.