Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1=CC=C(C=C1)C1=NN2C(SC(=CC3=CC=C(C=C3)[N+]([O-])=O)C2=O)=N1

InChIKey

InChIKey=OHBORPNGEGNLRB-UHFFFAOYSA-N

Formula

C21H18N4O3S

Mass

406.46

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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 - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Triazolothiazole - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiazole - Lactam - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - 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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