Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(\C=N\NC2=NC(=NC(=S)N2C2=CC=C(Cl)C=C2)C2=CC=C(C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=XGYATFVWGHWCFS-AFUMVMLFSA-N

Formula

C23H17ClN6O3S

Mass

492.94

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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 - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Amino-1,3,5-triazine - Chlorobenzene - Halobenzene - Triazinethione - Aryl chloride - Aryl halide - Triazine - 1,3,5-triazine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Hydrazone - Organic oxoazanium - Azacycle - Organic zwitterion - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - 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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