Structure Information
Structure

Compound Identification

SMILES

COC(=O)\N=C(/SC)C(=NC1=CC=C(C=C1)C1=NOC(C)=N1)C1=CC(OC)=C(OCC#N)C=C1

InChIKey

InChIKey=YRHUICPXPCJUIN-UYVIJUQPSA-N

Formula

C23H21N5O5S

Mass

479.51

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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 - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azomethine - Heteroaromatic compound - Secondary ketimine - Ketimine - Ether - Carbonitrile - Nitrile - Oxacycle - Sulfenyl compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organopnictogen compound - Cyanide - Carbonyl group - Organic nitrogen compound - Imine - 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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