Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCC1=NN=C(SCC(=O)NN=CC2=CC(OC(=O)C3=C(Cl)C4=CC=CC=C4S3)=CC=C2)N1C1=CC=CC=C1

InChIKey

InChIKey=KQOYLSAGXZITBD-UHFFFAOYSA-N

Formula

C37H40ClN5O3S2

Mass

702.33

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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 - Phenol ester - 1-benzothiophene - Benzothiophene - Phenoxy compound - Aryl thioether - Thiophene carboxylic acid or derivatives - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous halide - Thiophene - Carboxylic acid ester - Thioether - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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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