Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1)C(=O)NC(C)C1=NN=C(SCC2=CC=CC=C2C)N1C1=C(C)C=CC(Cl)=C1

InChIKey

InChIKey=JPSHFISWWLRVJP-UHFFFAOYSA-N

Formula

C28H29ClN4O3S

Mass

537.08

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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 - Dimethoxybenzene - M-dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aryl thioether - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Thioether - Carboxylic acid derivative - Azacycle - Ether - Sulfenyl compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Organohalogen compound - 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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