Structure Information
Structure

Compound Identification

SMILES

CSC(N)=NCCCCNC1=C(C=C(C=C1)C1=NNC(=O)CC1C)[N+]([O-])=O

InChIKey

InChIKey=KFRRKCGXCQGHDT-UHFFFAOYSA-N

Formula

C17H24N6O3S

Mass

392.48

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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 - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - Pyridazinone - Secondary aliphatic/aromatic amine - Pyridazine - Amino acid or derivatives - Isothiourea - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Secondary amine - Carboximidamide - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic salt - Amine - Organic oxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen 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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