Structure Information
Structure

Compound Identification

SMILES

COC1=CC([C@@H](NC2=CC=C(C=C2)C(N)=N)C2=NC(=O)N(N2)C2=CC=CC=C2C(=O)OC(=O)C(F)(F)F)=C(F)C=C1

InChIKey

InChIKey=CHEFNBWDFNVHJQ-HXUWFJFHSA-N

Formula

C26H20F4N6O5

Mass

572.477

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Phenyltriazoles

Direct Parent

Phenyl-1,2,4-triazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenyl-1,2,4-triazole - Benzyloxycarbonyl - Benzoic acid or derivatives - Phenol ether - Phenoxy compound - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Anisole - Aralkylamine - Secondary aliphatic/aromatic amine - Fluorobenzene - Alkyl aryl ether - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Carboxylic acid anhydride - Amino acid or derivatives - Secondary amine - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid amidine - Amidine - Carboximidamide - Azacycle - Organonitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organooxygen compound - Alkyl fluoride - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.

External Descriptors

Not available

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