Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C=C(NC(=O)CN2N=C3C=CC(SC4CCCCC4)=NN3C2=O)C=C1

InChIKey

InChIKey=VGDHMLOUKCOZSX-UHFFFAOYSA-N

Formula

C21H25N5O2S

Mass

411.52

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Triazolones

Direct Parent

Aryl 1,2,4-triazolones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aryl 1,2,4-triazol-3-one - Triazolopyridazine - Anilide - Aryl thioether - N-arylamide - O-xylene - Xylene - Alkylarylthioether - Monocyclic benzene moiety - Pyridazine - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Sulfenyl compound - Thioether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aryl 1,2,4-triazolones. These are aromatic heterocyclic compounds containing a 1,2,4-triazolone moiety that is substituted at the 5-position with an aryl group.

External Descriptors

Not available

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