Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(NC(=O)C(C)SC2=NN=C(CNC(=O)C3=CC=CO3)N2C2=CC=C(Br)C=C2)SC2=C1CCCC2

InChIKey

InChIKey=ABQRONZRDSTGRX-UHFFFAOYSA-N

Formula

C28H28BrN5O5S2

Mass

658.59

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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 - 2-heteroaryl carboxamide - Furoic acid or derivatives - Aryl thioether - Thiophene carboxylic acid or derivatives - N-arylamide - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Thiophene - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Oxacycle - Thioether - Sulfenyl compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organopnictogen compound - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organosulfur compound - Organic nitrogen 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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