Compound Identification
SMILES
CC1=NC(=CS1)C1=NC2=NNC(N)=C2C(=N1)C1=CC=C(OC2=CC=CC=C2)C=C1
InChIKey
InChIKey=NABUWABIXOSPBY-UHFFFAOYSA-N
Formula
C21H16N6OS
Mass
400.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Diphenylethers
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylethers
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylethers
Alternative Parents
Phenylpyrimidines Diarylethers Pyrazolo[3,4-d]pyrimidines Phenoxy compounds Phenol ethers 2,4-disubstituted thiazoles Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diphenylether - 4-phenylpyrimidine - Diaryl ether - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Phenoxy compound - Phenol ether - 2,4-disubstituted 1,3-thiazole - Pyrimidine - Azole - Heteroaromatic compound - Thiazole - Pyrazole - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors
Not available