AC1OALV9
[2,6-dimethoxy-4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate
Also Known As: (E)-4-(((3-mercapto-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-yl)imino)methyl)-2,6-dimethoxyphenyl acetate|[2,6-dimethoxy-4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate|2,6-DIMETHOXY-4-((E)-{[3-(4-METHOXYPHENYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]IMINO}METHYL)PHENYL ACETATE|2,6-dimethoxy-4-[(E)-{[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenyl acetate
| Molecular Formula | C20H20N4O5S |
|---|---|
| Molecular Weight | 428.11545 g/mol |
| LogP | 3.44099 |
| Topological Polar Surface Area | 99.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.11545 |
| Monoisotopic Mass | 428.11545 |
| Heavy Atoms | 30 |
| Complexity | 1109.8389 |
Chemical Identifiers
| CAS Number | 488129-08-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1OC)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)OC)OC |
Product Overview
AC1OALV9 (CAS 488129-08-4), with molecular formula C20H20N4O5S and molecular weight 428.11545 g/mol. IUPAC: [2,6-dimethoxy-4-[(E)-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl] acetate.