Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(NCC2=NN=C(SCC(=O)NN=CC3=C(OC)C=CC(Br)=C3)N2C2=CC=CC=C2)C=C1

InChIKey

InChIKey=ZMMNSNHRFCISLK-UHFFFAOYSA-N

Formula

C26H25BrN6O3S

Mass

581.49

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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 heteromonocyclic compounds

Substituents

Phenyl-1,2,4-triazole - Methoxyaniline - Aminophenyl ether - Aryl thioether - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Halobenzene - Bromobenzene - Aralkylamine - Alkylarylthioether - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Amino acid or derivatives - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Secondary amine - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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