Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C=CC1=O)=C(C)NNC(=O)CSC1=NNC(C2=CC=CC=C2)=[N+]1C1=CC=C(Cl)C=C1

InChIKey

InChIKey=IYHBOUHHWVDFJO-UHFFFAOYSA-O

Formula

C25H23ClN5O3S

Mass

509.0

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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 - P-quinomethane - Aryl thioether - Quinomethane - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Cyclic ketone - Carboxylic acid hydrazide - Ketone - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic cation - 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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