Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C(=O)NCC1=NN=C(SCC(=O)NC2=NC3=CC=CC=C3S2)N1C1=CC=C(Br)C=C1

InChIKey

InChIKey=BGMMQRUBCQTTGW-UHFFFAOYSA-N

Formula

C25H18BrN7O4S2

Mass

624.49

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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 - Nitrobenzene - 1,3-benzothiazole - Benzoic acid or derivatives - Benzamide - Benzoyl - N-arylamide - Nitroaromatic compound - Aryl thioether - Alkylarylthioether - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl bromide - Benzenoid - Aryl halide - Heteroaromatic compound - Thiazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Sulfenyl compound - Thioether - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organobromide - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organooxygen 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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