Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(=N1)C(NC(=O)CN1N=C(N(C[C@H](O)C(F)(F)F)C1=O)C1=CC=C(Cl)C=C1)C1=CC(=CC=C1)C(F)(F)F

InChIKey

InChIKey=LVGKWPDTEQBQBO-AJZOCDQUSA-N

Formula

C27H22ClF6N5O4

Mass

629.94

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Triazolones

Direct Parent

Aryl 1,2,4-triazolones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aryl 1,2,4-triazol-3-one - Phenyltriazole - Phenyl-1,2,4-triazole - Trifluoromethylbenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Pyridine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Secondary alcohol - Fluorohydrin - Carboxamide group - Secondary carboxylic acid amide - Halohydrin - Carboxylic acid derivative - Ether - Azacycle - Alcohol - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as aryl 1,2,4-triazolones. These are aromatic heterocyclic compounds containing a 1,2,4-triazolone moiety that is substituted at the 5-position with an aryl group.

External Descriptors

Not available

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