AC1OBNIO
3-(3-methoxyphenyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(3-methoxyphenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol|3-(3-methoxyphenyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione|4-[(1E)-2-(2,4,5-trimethoxyphenyl)-1-azavinyl]-5-(3-methoxyphenyl)-1,2,4-triaz ole-3-thiol|5-(3-methoxyphenyl)-4-{[(E)-(2,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione|5-(3-methoxyphenyl)-4-{[(E)-(2,4,5-trimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.1205 g/mol |
| LogP | 3.52429 |
| Topological Polar Surface Area | 82.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.1205 |
| Monoisotopic Mass | 400.1205 |
| Heavy Atoms | 28 |
| Complexity | 1058.3275 |
Chemical Identifiers
| CAS Number | 613248-84-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3OC)OC)OC |
Product Overview
AC1OBNIO (CAS 613248-84-3), with molecular formula C19H20N4O4S and molecular weight 400.1205 g/mol. IUPAC: 3-(3-methoxyphenyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.