Compound ID | 2523

Update compound information

1,2,3-triazole-thymol derivative 9

Synonym(s): 4-((4-chloro-2-isopropyl-5-methylphenoxy) methyl)-1-(2-nitrobenzyl)-1H-1,2,3 triazole

Class: Small molecule antibacterial agent

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Active against Escherichia coli, methicillin-resistant and -susceptible Staphylococcus aureus, and Pseudomonas aeruginosa
Description: Semisynthetic compound; triazole containing thymol (natural product compound)
Year first mentioned: 2022
Development status: Experimental
Chemical structure(s):
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Molecular weight: 400.86
Iso. SMILES: CC1=CC(OCC2=CN(CC3=C([N+]([O-])=O)C([H])=CC=C3)N=N2)=C(C(C)C)C=C1Cl
InChI Key: VVYMIYLYALIJRL-UHFFFAOYSA-N
Can. SMILES: CC(C)C1=CC(=C(C)C=C1OCC2=CN(CC3=C(C([H])=CC=C3)[N+](=O)[O-])N=N2)Cl
InChI: InChI=1S/C20H21ClN4O3/c1-13(2)17-9-18(21)14(3)8-20(17)28-12-16-11-24(23-22-16)10-15-6-4-5-7-19(15)25(26)27/h4-9,11,13H,10,12H2,1-3H3
External links:
Citation: https://www.sciencedirect.com/science/article/pii/S2405844022021247?via%3Dihub

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