AC1N9BJB
N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxybenzamide
Also Known As: Oprea1_217354|Oprea1_634116|SR-01000424922-1|F0475-0283|N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4,5-triethoxybenzamide|N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-3,4,5-triethoxybenzamide|N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxybenzamide|N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxy-benzamide
| Molecular Formula | C22H24Cl2N4O4S |
|---|---|
| Molecular Weight | 510.08954 g/mol |
| LogP | 5.36279 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 510.08954 |
| Monoisotopic Mass | 510.08954 |
| Heavy Atoms | 33 |
| Complexity | 1168.3743 |
Chemical Identifiers
| CAS Number | 391887-72-2 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl |
Product Overview
AC1N9BJB (CAS 391887-72-2), with molecular formula C22H24Cl2N4O4S and molecular weight 510.08954 g/mol. IUPAC: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4,5-triethoxybenzamide.