AC1M1CVS
N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethylbenzamide
Also Known As: Oprea1_204329|F0475-0220|SR-01000442446-1|N-{[4-(2,6-diethylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethylbenzamide|N-((4-(2,6-diethylphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-3,4-dimethylbenzamide|N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethylbenzamide|N-{[4-(2,6-diethylphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-o-4-xylenecarboxamide
| Molecular Formula | C22H26N4OS |
|---|---|
| Molecular Weight | 394.18274 g/mol |
| LogP | 4.60153 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.18274 |
| Monoisotopic Mass | 394.18274 |
| Heavy Atoms | 28 |
| Complexity | 1042.389 |
Chemical Identifiers
| CAS Number | 391887-29-9 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)N2C(=NNC2=S)CNC(=O)C3=CC(=C(C=C3)C)C |
Product Overview
AC1M1CVS (CAS 391887-29-9), with molecular formula C22H26N4OS and molecular weight 394.18274 g/mol. IUPAC: N-[[4-(2,6-diethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethylbenzamide.
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