Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC=C1CSC1=NN=C(CNC(=O)C2=CC=C(C=C2)C(C)(C)C)N1C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=RZIWKGXMAPQDAD-UHFFFAOYSA-N

Formula

C28H29N5O3S

Mass

515.63

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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 - Benzamide - Phenylpropane - Nitrobenzene - Benzoic acid or derivatives - Benzoyl - Nitroaromatic compound - Aryl thioether - Alkylarylthioether - Toluene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - 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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