AC1OBNMT
N-[(E)-benzylideneamino]-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: (E)-N'-benzylidene-2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide|2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-phenylmethylidene]acetohydrazide|N-((1E)-2-phenyl-1-azavinyl)-2-[4-(4-chlorophenyl)-5-(4-pyridyl)(1,2,4-triazol -3-ylthio)]acetamide|N-(benzylideneamino)-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-[(E)-benzylideneamino]-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C22H17ClN6OS |
|---|---|
| Molecular Weight | 448.0873 g/mol |
| LogP | 4.2251 |
| Topological Polar Surface Area | 85.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.0873 |
| Monoisotopic Mass | 448.0873 |
| Heavy Atoms | 31 |
| Complexity | 1179.8738 |
Chemical Identifiers
| CAS Number | 613253-54-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4 |
Product Overview
AC1OBNMT (CAS 613253-54-6), with molecular formula C22H17ClN6OS and molecular weight 448.0873 g/mol. IUPAC: N-[(E)-benzylideneamino]-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
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