AC1OBT1L
4-[(E)-(2-nitrophenyl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((2-nitrobenzylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol|4-[(2-nitrophenyl)methylideneamino]-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione|4-[(1E)-2-(2-nitrophenyl)-1-azavinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol e-3-thiol|4-[(E)-(2-nitrophenyl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione|4-{[(E)-(2-nitrophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione|4-{[(E)-(2-nitrophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C18H17N5O5S |
|---|---|
| Molecular Weight | 415.09503 g/mol |
| LogP | 3.42389 |
| Topological Polar Surface Area | 116.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.09503 |
| Monoisotopic Mass | 415.09503 |
| Heavy Atoms | 29 |
| Complexity | 1112.6608 |
Chemical Identifiers
| CAS Number | 488136-74-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2/N=C/C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
AC1OBT1L (CAS 488136-74-9), with molecular formula C18H17N5O5S and molecular weight 415.09503 g/mol. IUPAC: 4-[(E)-(2-nitrophenyl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione.