Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=CC=C1C1=NN=C(SCCCC(=O)N2CCN(CC3=CC4=C(OCO4)C=C3)CC2)N1C1=CC=CC=C1

InChIKey

InChIKey=XPMZXQHSZLBZBJ-UHFFFAOYSA-N

Formula

C30H30ClN5O3S

Mass

576.11

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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 - Benzodioxole - Aryl thioether - Chlorobenzene - Halobenzene - N-alkylpiperazine - Alkylarylthioether - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Sulfenyl compound - Thioether - Acetal - Azacycle - Oxacycle - Carboxylic acid derivative - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organochloride - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - 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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