Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=C(C=C1)N1C(SCC(=O)NN=CC2=C([O-])C=C(C=C2)[NH+](CC)CC)=NN=C1C1=CC=CC=C1

InChIKey

InChIKey=HYVOTSMPVWTBRV-UHFFFAOYSA-N

Formula

C29H32N6O3S

Mass

544.67

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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 - Phenoxy compound - Aryl thioether - Phenol ether - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Phenoxide - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Ether - Thioether - Sulfenyl compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic salt - 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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