Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C2=NOC(CSC3=NN=C(CC4=CC=CC=C4)N3C3=CC(C)=C(C)C=C3)=N2)=C(OC)C=C1

InChIKey

InChIKey=XWVMSALZKXBHGG-UHFFFAOYSA-N

Formula

C28H27N5O3S

Mass

513.62

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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

Phenyltriazole - Phenyl-1,2,4-triazole - Phenyl-1,2,4-oxadiazole - Dimethoxybenzene - P-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - Aryl thioether - Methoxybenzene - Xylene - O-xylene - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Triazole - 1,2,4-triazole - Sulfenyl compound - Thioether - Ether - Azacycle - Oxacycle - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen 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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