3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol|(E)-3-(((3-(3-isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)phenol|3-((1E)-2-{5-[3-(methylethoxy)phenyl]-3-sulfanyl(1,2,4-triazol-4-yl)}-2-azavin yl)phenol|4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione|4-{[(E)-(3-hydroxyphenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione|643-366-2
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.11505 g/mol |
| LogP | 3.98269 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.11505 |
| Monoisotopic Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 959.45996 |
Chemical Identifiers
| CAS Number | 577983-64-3 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)O |
Product Overview
3-(((3-(3-Isopropoxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-YL)imino)methyl)phenol (CAS 577983-64-3), with molecular formula C18H18N4O2S and molecular weight 354.11505 g/mol. IUPAC: 4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione.