4-((4-Chlorobenzylidene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-[(E)-(4-chlorophenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((4-chlorobenzylidene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol|4-((4-CHLOROBENZYLIDENE)AMINO)-5-(3-METHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL|4-[(1E)-2-(4-chlorophenyl)-1-azavinyl]-5-(3-methoxyphenyl)-1,2,4-triazole-3-th iol|4-[(E)-(4-chlorophenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione|4-{[(E)-(4-chlorophenyl)methylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H13ClN4OS |
|---|---|
| Molecular Weight | 344.04987 g/mol |
| LogP | 4.15189 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.04987 |
| Monoisotopic Mass | 344.04987 |
| Heavy Atoms | 23 |
| Complexity | 898.9437 |
Chemical Identifiers
| CAS Number | 613248-96-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)Cl |
Product Overview
4-((4-Chlorobenzylidene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 613248-96-7), with molecular formula C16H13ClN4OS and molecular weight 344.04987 g/mol. IUPAC: 4-[(E)-(4-chlorophenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione.