AC1OBZOX
4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol|4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol|4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione|4-{(1E)-2-[3-methoxy-4-(phenylmethoxy)phenyl]-1-azavinyl}-5-(3-methylpyrazol-5 -yl)-1,2,4-triazole-3-thiol
| Molecular Formula | C21H20N6O2S |
|---|---|
| Molecular Weight | 420.13684 g/mol |
| LogP | 4.10901 |
| Topological Polar Surface Area | 93.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.13684 |
| Monoisotopic Mass | 420.13684 |
| Heavy Atoms | 30 |
| Complexity | 1225.7849 |
Chemical Identifiers
| CAS Number | 716331-13-4 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC |
Product Overview
AC1OBZOX (CAS 716331-13-4), with molecular formula C21H20N6O2S and molecular weight 420.13684 g/mol. IUPAC: 4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione.