Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=NOC(CCCC(=O)NC2=NC(=C(C)S2)C2=CC=C(F)C=C2)=N1

InChIKey

InChIKey=HJECXHHWHRUVIV-UHFFFAOYSA-N

Formula

C23H21FN4O3S

Mass

452.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Oxadiazoles

Intermediate Tree Nodes

1,2,4-oxadiazoles

Direct Parent

Phenyloxadiazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenyl-1,2,4-oxadiazole - Phenol ether - N-arylamide - Methoxybenzene - Anisole - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Fluorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Aryl fluoride - Thiazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.

External Descriptors

Not available

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