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Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=NN(C(C1)C1=C(OC)C(OC)=CC=C1)C(=O)CSC1=NN=C(CNC(=O)C2=CC(F)=CC=C2)N1C1=CC=CC=C1

InChIKey

InChIKey=AFFXVJRJZCQFEM-UHFFFAOYSA-N

Formula

C36H33FN6O5S

Mass

680.76

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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 - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aryl thioether - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Pyrazoline - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Ether - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organofluoride - Hydrocarbon derivative - Organohalogen compound - 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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