Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=C(NC(=S)NC(=O)C2=CC3=C(SC4=CC=CC=C4S3)C=C2)C=C1

InChIKey

InChIKey=QNBPITMKGWXNRK-UHFFFAOYSA-N

Formula

C20H13BrN2OS3

Mass

473.42

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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 - Diarylthioether - N-phenylthiourea - Aryl thioether - Bromobenzene - Halobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Thiourea - Thioether - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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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