Structure Information
Structure

Compound Identification

SMILES

CCN1C(SCC(=O)NC2=CC3=C(OCCO3)C=C2)=NN=C1C1=CC(C)=CC=C1

InChIKey

InChIKey=BAFMGUCRUKOMNO-UHFFFAOYSA-N

Formula

C21H22N4O3S

Mass

410.49

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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 - N-arylamide - Alkyl aryl ether - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Para-dioxin - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Thioether - Sulfenyl compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen 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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