Structure Information
Structure

Compound Identification

SMILES

ClC1=C(NC(=S)N2CCCN(CC3=NOC(=N3)C3=CC=CC=C3)CC2)C=CC(Br)=C1

InChIKey

InChIKey=WXJZACKUGOYURJ-UHFFFAOYSA-N

Formula

C21H21BrClN5OS

Mass

506.85

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Oxadiazoles

Intermediate Tree Nodes

1,2,4-oxadiazoles

Direct Parent

Phenyloxadiazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenyl-1,2,4-oxadiazole - N-phenylthiourea - 1,4-diazepane - Bromobenzene - Chlorobenzene - Diazepane - Halobenzene - Aralkylamine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Aryl chloride - Heteroaromatic compound - Tertiary aliphatic amine - Thiourea - Tertiary amine - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Amine - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.

External Descriptors

Not available

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