Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(=O)NNC(=O)SC2=CC=CC=C2[N+]([O-])=O)C(=NO1)C1=C(Cl)C=CC=C1Cl

InChIKey

InChIKey=WUBKKPFAHMNVAE-UHFFFAOYSA-N

Formula

C18H12Cl2N4O5S

Mass

467.28

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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 - Aryl thioether - Nitroaromatic compound - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Isoxazole - Carboxylic acid hydrazide - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Carbonyl group - Organic salt - Organopnictogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen 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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