Structure Information
Structure

Compound Identification

SMILES

CN1CCN(CC2=C(N=C(S2)C2=CC=CC=C2)C2=CC=CC=C2[N+]([O-])=O)CC1

InChIKey

InChIKey=KPXPHFLYMSXFDJ-UHFFFAOYSA-N

Formula

C21H22N4O2S

Mass

394.49

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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 - Aralkylamine - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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