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Structure Information
Structure

Compound Identification

SMILES

CN1C(CSC2=NC(=NO2)C2=CC=CC=C2)=NC=C1[N+]([O-])=O

InChIKey

InChIKey=JDRPULZAJSMGBY-UHFFFAOYSA-N

Formula

C13H11N5O3S

Mass

317.32

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Oxadiazoles

Intermediate Tree Nodes

1,2,4-oxadiazoles

Direct Parent

Phenyloxadiazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenyl-1,2,4-oxadiazole - 1,2,5-trisubstituted-imidazole - Aryl thioether - Nitroaromatic compound - Nitroimidazole - Trisubstituted imidazole - Alkylarylthioether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Oxacycle - Azacycle - Organic oxoazanium - Thioether - Sulfenyl compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.

External Descriptors

Not available

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