Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=NN(C(SCC(O)=O)=N1)C1=CC=C(Br)C=C1

InChIKey

InChIKey=LHVORTHHYJGFPZ-UHFFFAOYSA-N

Formula

C12H10BrN3O3S

Mass

356.19

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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 heteromonocyclic compounds

Substituents

Phenyl-1,2,4-triazole - Aryl thioether - Aryl alkyl ketone - Aryl ketone - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ketone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Aromatic heteromonocyclic 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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