Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC(=O)CSC1=NN=C(C2COC3=CC=CC=C3O2)N1C1=CC=CC=C1

InChIKey

InChIKey=VULSEGAUFMQINH-UHFFFAOYSA-N

Formula

C21H19N3O5S

Mass

425.46

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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 - Benzo-1,4-dioxane - Benzodioxane - Aryl thioether - Alkyl aryl ether - Beta-keto acid - Fatty acid ester - Fatty acid methyl ester - Alkylarylthioether - Monocyclic benzene moiety - Keto acid - Para-dioxin - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Methyl ester - Heteroaromatic compound - Ketone - Carboxylic acid ester - Azacycle - Sulfenyl compound - Thioether - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aldehyde - 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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