AC1OBTBL
4-[(E)-(3-chlorophenyl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-chlorobenzylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol|4-[(1E)-2-(3-chlorophenyl)-1-azavinyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazo le-3-thiol|4-[(E)-(3-chlorophenyl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione|4-{[(E)-(3-chlorophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione|4-{[(E)-(3-chlorophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C18H17ClN4O3S |
|---|---|
| Molecular Weight | 404.07098 g/mol |
| LogP | 4.16909 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.07098 |
| Monoisotopic Mass | 404.07098 |
| Heavy Atoms | 27 |
| Complexity | 1020.0763 |
Chemical Identifiers
| CAS Number | 488708-57-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)Cl |
Product Overview
AC1OBTBL (CAS 488708-57-2), with molecular formula C18H17ClN4O3S and molecular weight 404.07098 g/mol. IUPAC: 4-[(E)-(3-chlorophenyl)methylideneamino]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione.