Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1C1=NOC(CSC2=NN=C(O2)C2=CC=C(Br)C=C2)=N1

InChIKey

InChIKey=NCCAWMFNXRMTSL-UHFFFAOYSA-N

Formula

C18H13BrN4O3S

Mass

445.29

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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 - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Alkylarylthioether - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - 1,3,4-oxadiazole - Sulfenyl compound - Thioether - Oxacycle - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - 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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