AC1OALYL
4-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-bromo-4-methoxybenzylidene)amino)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol|4-[(1E)-2-(3-bromo-4-methoxyphenyl)-1-azavinyl]-5-(phenoxymethyl)-1,2,4-triazo le-3-thiol|4-[(3-bromo-4-methoxy-phenyl)methylideneamino]-5-(phenoxymethyl)-2H-1,2,4-triazole-3-thione|4-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione|4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione|4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C17H15BrN4O2S |
|---|---|
| Molecular Weight | 418.00992 g/mol |
| LogP | 4.17299 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.00992 |
| Monoisotopic Mass | 418.00992 |
| Heavy Atoms | 25 |
| Complexity | 937.3209 |
Chemical Identifiers
| CAS Number | 498570-30-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)COC3=CC=CC=C3)Br |
Product Overview
AC1OALYL (CAS 498570-30-2), with molecular formula C17H15BrN4O2S and molecular weight 418.00992 g/mol. IUPAC: 4-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione.