Structure Information
Structure

Compound Identification

SMILES

CC1=NN=C(SCC2=NC(=CO2)C(=O)NCCCN2CCOCC2)N1C1=CC=CC(C)=C1

InChIKey

InChIKey=KZIAIFPHPIMCLP-UHFFFAOYSA-N

Formula

C22H28N6O3S

Mass

456.57

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Phenyltriazoles

Direct Parent

Phenyl-1,2,4-triazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenyl-1,2,4-triazole - 2-heteroaryl carboxamide - Aryl thioether - 2,4-disubstituted 1,3-oxazole - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Oxazinane - Morpholine - Oxazole - Heteroaromatic compound - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.

External Descriptors

Not available

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