2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
2-fluoro-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
Also Known As: Oprea1_417821|Oprea1_800848|2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide|2-Fluoro-N-(5-mercapto-4-phenyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide|2-fluoro-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide|F0334-5370|2-fluoro-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide|2-FLUORO-N-[(4-PHENYL-5-SULFANYLIDENE-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)METHYL]BENZAMIDE
| Molecular Formula | C16H13FN4OS |
|---|---|
| Molecular Weight | 328.0794 g/mol |
| LogP | 2.99899 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0794 |
| Monoisotopic Mass | 328.0794 |
| Heavy Atoms | 23 |
| Complexity | 888.3508 |
Chemical Identifiers
| CAS Number | 391886-33-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CNC(=O)C3=CC=CC=C3F |
Product Overview
2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 391886-33-2), with molecular formula C16H13FN4OS and molecular weight 328.0794 g/mol. IUPAC: 2-fluoro-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide.