Structure Information
Structure

Compound Identification

SMILES

COC1=CC(N2C(CNC(=O)C3=CC(=C(C)C=C3)[N+]([O-])=O)=NN=C2SCC(=O)NC2=NC3=CC=CC=C3S2)=C(OC)C=C1

InChIKey

InChIKey=LWDOUXTXBHYCCJ-UHFFFAOYSA-N

Formula

C28H25N7O6S2

Mass

619.67

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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 heteropolycyclic compounds

Substituents

Phenyl-1,2,4-triazole - Dimethoxybenzene - P-dimethoxybenzene - Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Methoxyaniline - P-toluamide - Toluamide - Nitrotoluene - Anisole - Phenoxy compound - Aryl thioether - Benzoyl - Nitroaromatic compound - Phenol ether - N-arylamide - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Toluene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Sulfenyl compound - Azacycle - Organic oxoazanium - Thioether - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic 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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