Structure Information
Structure

Compound Identification

SMILES

NC(=S)N1N=C2C(CCCC2=CC2=CC(=CC=C2)[N+]([O-])=O)C1C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=QJRKKZNCCYNRRE-UHFFFAOYSA-N

Formula

C21H19N5O4S

Mass

437.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Thiosemicarbazone - Benzenoid - Pyrazoline - C-nitro compound - N-alkylated hydrazone - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic salt - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

External Descriptors

Not available

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