Structure Information
Structure

Compound Identification

SMILES

CN1C(SCC(=O)N2N=C(CC2C2=CC=CO2)C2=CC=C(Cl)C=C2)=NN=C1C1=CC(C)=CC=C1

InChIKey

InChIKey=BALXNGCJTJHDQB-UHFFFAOYSA-N

Formula

C25H22ClN5O2S

Mass

491.99

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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 - Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Pyrazoline - Carboxylic acid derivative - Oxacycle - Azacycle - Thioether - Sulfenyl compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - 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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