AC1Q2LXG structure

AC1Q2LXG

N-(5-chloro-2-methylphenyl)-2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Also Known As: 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-methylphenyl)acetamide|N-(5-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide|N-(5-chloro-2-methylphenyl)-2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(5-chloro-2-methylphenyl)-2-{[5-(4-chlorophenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(5-chloro-2-methylphenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl(1,2,4 -triazol-3-ylthio)}acetamide

CAS: 896806-85-2
Molecular Formula C21H20Cl2N4O2S
Molecular Weight 462.0684 g/mol
LogP 5.38912
Topological Polar Surface Area 69.04 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 9
Exact Mass 462.0684
Monoisotopic Mass 462.0684
Heavy Atoms 30
Complexity 1037.9857

Chemical Identifiers

CAS Number 896806-85-2
SMILES CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Cl

Product Overview

AC1Q2LXG (CAS 896806-85-2), with molecular formula C21H20Cl2N4O2S and molecular weight 462.0684 g/mol. IUPAC: N-(5-chloro-2-methylphenyl)-2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]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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