3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole
3-ethyl-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: J2.667.161B|3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole|AF-962/31192015|5-ethyl-4-[(E)-[(4-nitrophenyl)methylidene]amino]-4H-1,2,4-triazole-3-thiol|3-ethyl-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione|4-[(1E)-2-(4-nitrophenyl)-1-azavinyl]-5-ethyl-1,2,4-triazole-3-thiol|5-ethyl-4-{[(4-nitrophenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol|N-(4-Nitrobenzylidene)-3-mercapto-5-ethyl-4H-1,2,4-triazole-4-amine
| Molecular Formula | C11H11N5O2S |
|---|---|
| Molecular Weight | 277.06335 g/mol |
| LogP | 2.29349 |
| Topological Polar Surface Area | 89.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.06335 |
| Monoisotopic Mass | 277.06335 |
| Heavy Atoms | 19 |
| Complexity | 671.13916 |
Chemical Identifiers
| CAS Number | 219611-90-2 |
|---|---|
| SMILES | CCC1=NNC(=S)N1/N=C/C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
3-ethyl-4-({4-nitrobenzylidene}amino)-5-sulfanyl-4H-1,2,4-triazole (CAS 219611-90-2), with molecular formula C11H11N5O2S and molecular weight 277.06335 g/mol. IUPAC: 3-ethyl-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.