Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=CC=C1C1=NC(SCC(=O)NC2=CC3=C(OCCO3)C=C2)=NN1

InChIKey

InChIKey=VSIBLUMROKGVCS-UHFFFAOYSA-N

Formula

C18H15BrN4O3S

Mass

447.31

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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 - Benzodioxane - Benzo-1,4-dioxane - Aryl thioether - N-arylamide - Bromobenzene - Halobenzene - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Para-dioxin - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Sulfenyl compound - Thioether - Azacycle - Oxacycle - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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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