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Structure Information
Structure

Compound Identification

SMILES

CCOCCOC(=O)C(\C#N)=C(/NCC1=NC(=NO1)C1=CC=C(C=C1)C(F)(F)F)SC

InChIKey

InChIKey=TVGIEEDEGHUKIB-SAPNQHFASA-N

Formula

C19H19F3N4O4S

Mass

456.44

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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 - Trifluoromethylbenzene - Monocyclic benzene moiety - Benzenoid - Vinylogous thioester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Sulfenyl compound - Oxacycle - Azacycle - Organohalogen compound - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Cyanide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alkyl halide - 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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