Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1C1=NOC(COC(=O)C2=CSC(=N2)C2=CC=C(F)C=C2)=N1

InChIKey

InChIKey=ICNFWXVNYGGQAY-UHFFFAOYSA-N

Formula

C20H14FN3O4S

Mass

411.41

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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 - Thiazolecarboxylic acid or derivatives - Methoxybenzene - Anisole - Phenoxy compound - Halobenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Fluorobenzene - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl fluoride - Heteroaromatic compound - Thiazole - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxide - 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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