AC1OBWH3
4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(3-isopropoxyphenyl)-4-((4-(methylthio)benzylidene)amino)-4H-1,2,4-triazole-3-thiol|4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione|4-[(1E)-2-(4-methylthiophenyl)-1-azavinyl]-5-[3-(methylethoxy)phenyl]-1,2,4-tr iazole-3-thiol|4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione|5-(3-isopropoxyphenyl)-4-({(E)-[4-(methylsulfanyl)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
| Molecular Formula | C19H20N4OS2 |
|---|---|
| Molecular Weight | 384.10785 g/mol |
| LogP | 4.99899 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.10785 |
| Monoisotopic Mass | 384.10785 |
| Heavy Atoms | 26 |
| Complexity | 958.17053 |
Chemical Identifiers
| CAS Number | 577997-53-6 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)SC |
Product Overview
AC1OBWH3 (CAS 577997-53-6), with molecular formula C19H20N4OS2 and molecular weight 384.10785 g/mol. IUPAC: 4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione.