Structure Information
Structure

Compound Identification

SMILES

CN1CCN(CC1)C(=O)C1=C(N=C(S1)C1=CC=CC=C1)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=LJBDFLFVPWRNFG-UHFFFAOYSA-N

Formula

C21H20N4O3S

Mass

408.48

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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-heteroaryl carboxamide - 2,4,5-trisubstituted 1,3-thiazole - Nitroaromatic compound - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Carboxamide group - C-nitro compound - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Amine - Organic salt - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - 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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