Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(CSC2=NN=C(C(C)NC(=O)C3=CC(=CC=C3)[N+]([O-])=O)N2C2=CC=C(C=C2)[N+]([O-])=O)=C1

InChIKey

InChIKey=FGTNNYUEZSJMFP-UHFFFAOYSA-N

Formula

C25H22N6O6S

Mass

534.55

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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 - Benzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Carboxamide group - Organic nitro compound - Secondary carboxylic acid amide - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic oxygen 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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