Structure Information
Structure

Compound Identification

SMILES

CN1C(SCC(=O)N\N=C\C2=CC=CC=C2OCC2=CC=C(Br)C=C2)=NN=C1C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=UMDKBOJNFFTEIN-MZJWZYIUSA-N

Formula

C25H21BrN6O4S

Mass

581.45

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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 - Nitrobenzene - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Bromobenzene - Halobenzene - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Azacycle - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic zwitterion - 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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