AC1OBN37
3-(3-ethoxyphenyl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(3-ethoxyphenyl)-4-((3,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol|3-(3-ethoxyphenyl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione|4-[(1E)-2-(3,4,5-trimethoxyphenyl)-1-azavinyl]-5-(3-ethoxyphenyl)-1,2,4-triazo le-3-thiol|5-(3-ethoxyphenyl)-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione|5-(3-ETHOXYPHENYL)-4-{[(E)-(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE]AMINO}-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
| Molecular Formula | C20H22N4O4S |
|---|---|
| Molecular Weight | 414.13617 g/mol |
| LogP | 3.91439 |
| Topological Polar Surface Area | 82.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.13617 |
| Monoisotopic Mass | 414.13617 |
| Heavy Atoms | 29 |
| Complexity | 1049.3334 |
Chemical Identifiers
| CAS Number | 613249-60-8 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
AC1OBN37 (CAS 613249-60-8), with molecular formula C20H22N4O4S and molecular weight 414.13617 g/mol. IUPAC: 3-(3-ethoxyphenyl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.