AC1OBU4U structure

AC1OBU4U

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

Also Known As: (E)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide|2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide|2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide|N-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-2-[4-(4-methylphenyl)-5-phenyl(1,2 ,4-triazol-3-ylthio)]acetamide

CAS: 314072-03-2
Molecular Formula C23H22N6OS
Molecular Weight 430.1576 g/mol
LogP 3.82362
Topological Polar Surface Area 77.1 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 7
Exact Mass 430.1576
Monoisotopic Mass 430.1576
Heavy Atoms 31
Complexity 1194.552

Chemical Identifiers

CAS Number 314072-03-2
SMILES CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC=CN3C)C4=CC=CC=C4

Product Overview

AC1OBU4U (CAS 314072-03-2), with molecular formula C23H22N6OS and molecular weight 430.1576 g/mol. IUPAC: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)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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