Structure Information
Structure

Compound Identification

SMILES

CC1=NC2=C(S1)C=CC(OC[C@H](O)CN1CCN(CC3=NOC(=N3)C3=CC=CC(=C3)C#N)CC1)=C2

InChIKey

InChIKey=MHCJLGAMVALBOM-HXUWFJFHSA-N

Formula

C25H26N6O3S

Mass

490.58

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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 heteropolycyclic compounds

Substituents

Phenyl-1,2,4-oxadiazole - 1,3-benzothiazole - Benzonitrile - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - Benzenoid - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Heteroaromatic compound - Thiazole - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Oxacycle - Nitrile - Carbonitrile - Ether - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Cyanide - Alcohol - Aromatic heteropolycyclic 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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