Structure Information
Structure

Compound Identification

SMILES

CC1=NN=C(SCC2=NC(=CS2)C(=O)N2CCC(CC2)N2C(=O)NC3=CC=CC=C23)N1C1=CC=CC=C1C

InChIKey

InChIKey=JDMBSOZTHKXGLF-UHFFFAOYSA-N

Formula

C27H27N7O2S2

Mass

545.68

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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 heteropolycyclic compounds

Substituents

Phenyl-1,2,4-triazole - Benzimidazole - N-acyl-piperidine - 2-heteroaryl carboxamide - Aryl thioether - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - Benzenoid - Imidazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Carboxamide group - Urea - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic 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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