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Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=C(NC(=S)NC(=O)C2=CC3=C(SC4=CC=CC=C4S3)C=C2)C=C1)[N+]([O-])=O

InChIKey

InChIKey=JELJSOYOQWYTOS-UHFFFAOYSA-N

Formula

C21H15N3O4S3

Mass

469.55

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodithiins

Subclass

1,4-benzodithiins

Intermediate Tree Nodes

Not available

Direct Parent

Thianthrenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as thianthrenes. These are organic compounds containing a thianthrene moiety. Thianthrene is a tricyclic ring system that consists of two benzene rings fused to each other through a 1,4-dithiin ring.

External Descriptors

Not available

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