Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(Cl)C=CC(=C1)C1=CSC(=N1)C1CCN(CC2=NC=CN2)CC1

InChIKey

InChIKey=WQRQNFNGDVZSPA-UHFFFAOYSA-N

Formula

C18H18ClN5O2S

Mass

403.89

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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 - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Piperidine - Azole - Heteroaromatic compound - Imidazole - Thiazole - C-nitro compound - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic oxide - Organic salt - Amine - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organic zwitterion - Organic oxygen compound - 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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