AC1N9QKR
N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide
Also Known As: Oprea1_322036|Oprea1_421686|F0475-0083|N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-3-methylbenzamide|N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide|N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide
| Molecular Formula | C17H14Cl2N4OS |
|---|---|
| Molecular Weight | 392.02655 g/mol |
| LogP | 4.47511 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.02655 |
| Monoisotopic Mass | 392.02655 |
| Heavy Atoms | 25 |
| Complexity | 996.3081 |
Chemical Identifiers
| CAS Number | 391886-59-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NCC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl |
Product Overview
AC1N9QKR (CAS 391886-59-2), with molecular formula C17H14Cl2N4OS and molecular weight 392.02655 g/mol. IUPAC: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide.
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