Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC=C1C1=NOC(=N1)C(\Cl)=C\C1=CC=C(C=C1)C#N

InChIKey

InChIKey=MTKDRIDJDIYESU-YBEGLDIGSA-N

Formula

C18H12ClN3O

Mass

321.76

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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 - Benzonitrile - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbonitrile - Nitrile - Vinyl chloride - Vinyl halide - Haloalkene - Chloroalkene - Azacycle - Oxacycle - Organooxygen compound - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen 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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