4-((4-CL-3-Nitrobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((4-Chloro-3-nitrobenzylidene)amino)-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione|4-((4-CL-3-NITROBENZYLIDENE)AMINO)-5-(3-ETHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL|(E)-4-((4-chloro-3-nitrobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol|4-[(1E)-2-(4-chloro-3-nitrophenyl)-1-azavinyl]-5-(3-ethoxyphenyl)-1,2,4-triazo le-3-thiol|4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione|4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(3-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione|657-923-2
| Molecular Formula | C17H14ClN5O3S |
|---|---|
| Molecular Weight | 403.0506 g/mol |
| LogP | 4.45019 |
| Topological Polar Surface Area | 98.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.0506 |
| Monoisotopic Mass | 403.0506 |
| Heavy Atoms | 27 |
| Complexity | 1076.426 |
Chemical Identifiers
| CAS Number | 613249-79-9 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-((4-CL-3-Nitrobenzylidene)amino)-5-(3-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 613249-79-9), with molecular formula C17H14ClN5O3S and molecular weight 403.0506 g/mol. IUPAC: 4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(3-ethoxyphenyl)-1H-1,2,4-triazole-5-thione.