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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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 Nitrophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Oxathiins Thioureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
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