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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzoxathiins
- Subclass Phenoxathiins
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Class
Benzoxathiins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxathiins
Subclass
Phenoxathiins
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxathiins
Alternative Parents
N-acyl-phenylthioureas Diarylethers Diarylthioethers Nitrobenzenes Nitroaromatic compounds Oxathiins Thioureas Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Organic salts
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