AC1OBTJU structure

AC1OBTJU

2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide

Also Known As: (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-methylbenzylidene)acetohydrazide|2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide|2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-methylphenyl)methylidene]acetohydrazide|N-[(1E)-2-(4-methylphenyl)-1-azavinyl]-2-[5-(3,4-dimethoxyphenyl)-4-ethyl(1,2, 4-triazol-3-ylthio)]acetamide

CAS: 488718-75-8
Molecular Formula C22H25N5O3S
Molecular Weight 439.16782 g/mol
LogP 3.53302
Topological Polar Surface Area 90.63 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 9
Exact Mass 439.16782
Monoisotopic Mass 439.16782
Heavy Atoms 31
Complexity 1063.5084

Chemical Identifiers

CAS Number 488718-75-8
SMILES CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=C(C=C2)C)C3=CC(=C(C=C3)OC)OC

Product Overview

AC1OBTJU (CAS 488718-75-8), with molecular formula C22H25N5O3S and molecular weight 439.16782 g/mol. IUPAC: 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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