Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=CC=C(C=C1)C1=CSC(=N1)C1CCN(CC1)C(=O)CCC1=NC(=NO1)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=AVSAOFIUIQNAPD-UHFFFAOYSA-N

Formula

C29H32N6O4S

Mass

560.67

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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 - N-acyl-piperidine - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Piperidine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Carboxamide group - C-nitro compound - Tertiary amine - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Amine - Carbonyl group - Organic salt - Organic cation - 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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