Compound Identification
SMILES
NC1=NN(C(=O)C1)C1=NN=C(C2=CC3=C(OC4=CC=CC=C4S3)C=C2)C2=CC=CC=C12
InChIKey
InChIKey=KCVOARVXLWXLDU-UHFFFAOYSA-N
Formula
C23H15N5O2S
Mass
425.47
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
Diarylthioethers Diarylethers Phthalazines Pyridazines and derivatives Pyrazolones Oxathiins Imidolactams Benzenoids Heteroaromatic compounds Amidrazones Oxacyclic compounds Amidines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxathiin - Diaryl ether - Diarylthioether - Diazanaphthalene - Phthalazine - Aryl thioether - 1,4-oxathiin - Pyrazolinone - Pyridazine - Benzenoid - Imidolactam - Pyrazoline - Heteroaromatic compound - Carboxylic acid amidrazone - Thioether - Amidine - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - 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