Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=C(NC(=S)NC(=O)C2=CC3=C(OC4=CC=CC=C4S3)C=C2)C=C1)[N+]([O-])=O

InChIKey

InChIKey=WQOBBGURQULTDJ-UHFFFAOYSA-N

Formula

C21H15N3O5S2

Mass

453.49

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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 - Nitrophenyl ether - Diarylthioether - Diaryl ether - N-phenylthiourea - Nitrobenzene - Methoxyaniline - Phenol ether - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Methoxybenzene - Anisole - Alkyl aryl ether - Benzenoid - 1,4-oxathiin - Monocyclic benzene moiety - C-nitro compound - Thiourea - Organic nitro compound - Carboxylic acid derivative - Ether - Oxacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Organopnictogen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic zwitterion - Hydrocarbon derivative - 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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