Structure Information
Structure

Compound Identification

SMILES

CCN1C(SCC2=C3CCC(CC3OC(O)=C2)=NC(C)=O)=NN=C1C1=CC=C(Cl)C=C1

InChIKey

InChIKey=AHKVXZBIUDHKBT-UHFFFAOYSA-N

Formula

C22H23ClN4O3S

Mass

458.96

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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 heteropolycyclic compounds

Substituents

Phenyl-1,2,4-triazole - Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Azomethine - Heteroaromatic compound - Secondary ketimine - Ketene acetal or derivatives - N-acylimine - Carboxylic acid derivative - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic 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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