Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1=CC=C(C=C1)C1=NN2C(=O)C(SC2=N1)=CC1=CC=C(O1)C1=CC=C(Br)C=C1

InChIKey

InChIKey=ZSOHEAZFUXYDMF-UHFFFAOYSA-N

Formula

C25H20BrN3O2S

Mass

506.42

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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 - Phenylpropane - Triazolothiazole - Bromobenzene - Halobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Heteroaromatic compound - Thiazole - Furan - Lactam - Oxacycle - Azacycle - Organic oxide - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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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