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Structure Information
Structure

Compound Identification

SMILES

NC1=NC(=CS1)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=RIKJWJIWXCUKQV-UHFFFAOYSA-N

Formula

C9H7N3O2S

Mass

221.23

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Azole - Thiazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organic nitrogen compound - Organic zwitterion - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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