Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(NC(=S)NC(=O)C2=CC3=C(OC4=CC=CC=C4S3)C=C2)C=C1

InChIKey

InChIKey=FABLLKBJEZGNJS-UHFFFAOYSA-N

Formula

C20H13N3O4S2

Mass

423.46

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxathiins

Subclass

Phenoxathiins

Intermediate Tree Nodes

Not available

Direct Parent

Phenoxathiins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenoxathiin - N-acyl-phenylthiourea - Diaryl ether - Diarylthioether - N-phenylthiourea - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Monocyclic benzene moiety - 1,4-oxathiin - Benzenoid - C-nitro compound - Organic nitro compound - Thiourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Oxacycle - Thioether - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organic zwitterion - Organic salt - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenoxathiins. These are polycyclic aromatic compounds containing a phenoxathiin moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxathiin ring.

External Descriptors

Not available

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