Structure Information
Structure

Compound Identification

SMILES

COC1=C([O-])C=CC(=C1)C(C)=NNC(=O)CSC1=NNC(C2=CC=C(Cl)C=C2)=[N+]1C1CCCCC1

InChIKey

InChIKey=NUFBCTYQWSQAMX-UHFFFAOYSA-N

Formula

C25H28ClN5O3S

Mass

514.04

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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 - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Phenoxide - Alkylarylthioether - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Organic zwitterion - Organochloride - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - 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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