AC1MPZ0K
4-tert-butyl-N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: Oprea1_791281|Oprea1_870526|F0475-0093|SR-01000442422-1|F0475-0486|4-(tert-butyl)-N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide|4-tert-butyl-N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide|4-tert-butyl-N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide|N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-tert-butyl-benzamide|N-{[4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}p-tert-butylbenzamide
| Molecular Formula | C20H20Cl2N4OS |
|---|---|
| Molecular Weight | 434.0735 g/mol |
| LogP | 5.46419 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.0735 |
| Monoisotopic Mass | 434.0735 |
| Heavy Atoms | 28 |
| Complexity | 1065.0452 |
Chemical Identifiers
| CAS Number | 391886-67-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl |
Product Overview
AC1MPZ0K (CAS 391886-67-2), with molecular formula C20H20Cl2N4OS and molecular weight 434.0735 g/mol. IUPAC: 4-tert-butyl-N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide.
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