Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC(C)=O)C=CC(C=C2SC3=NC(=NN3C2=O)C2=CC=C(Br)C=C2)=C1

InChIKey

InChIKey=GQMUEDIEIXFFHV-UHFFFAOYSA-N

Formula

C20H14BrN3O4S

Mass

472.31

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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 - Phenol ester - Phenol ether - Triazolothiazole - Phenoxy compound - Methoxybenzene - Anisole - Bromobenzene - Alkyl aryl ether - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Thiazole - Heteroaromatic compound - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organopnictogen compound - Organohalogen 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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