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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodithiins
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Subclass
1,4-benzodithiins
- Level 5 Thianthrenes
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Subclass
1,4-benzodithiins
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Class
Benzodithiins
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodithiins
Subclass
1,4-benzodithiins
Intermediate Tree Nodes
Not available
Direct Parent
Thianthrenes
Alternative Parents
N-acyl-phenylthioureas Diarylthioethers Bromobenzenes Aryl bromides Thioureas Carboxylic acids and derivatives Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
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