Structure Information
Structure

Compound Identification

SMILES

CC1=C(OCC(O)=O)C=CC(Br)=C1.NC(=N)SCC1=CC=CC2=CC=CC=C12

InChIKey

InChIKey=NXFCZOXECPACSY-UHFFFAOYSA-N

Formula

C21H21BrN2O3S

Mass

461.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenoxyacetic acid derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenoxyacetic acid derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Phenoxyacetate - Naphthalene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Isothiourea - Carboxylic acid derivative - Carboxylic acid - Ether - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboximidamide - Organic oxide - Organopnictogen compound - Imine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.

External Descriptors

Not available

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