AC1OBV3X
4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((2-chloro-5-nitrobenzylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol|4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione|4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione|4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C18H16ClN5O5S |
|---|---|
| Molecular Weight | 449.05606 g/mol |
| LogP | 4.07729 |
| Topological Polar Surface Area | 116.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.05606 |
| Monoisotopic Mass | 449.05606 |
| Heavy Atoms | 30 |
| Complexity | 1164.9456 |
Chemical Identifiers
| CAS Number | 498569-53-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
AC1OBV3X (CAS 498569-53-2), with molecular formula C18H16ClN5O5S and molecular weight 449.05606 g/mol. IUPAC: 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
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