Structure Information
Structure

Compound Identification

SMILES

CCC1=C(SC(N)=N1)C(=O)NN=CC1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=OYVWXYXWPFDUNN-UHFFFAOYSA-N

Formula

C13H13N5O3S

Mass

319.34

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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 - 2,4,5-trisubstituted 1,3-thiazole - Nitroaromatic compound - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Primary amine - Organic oxide - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic salt - 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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