Compound Identification
SMILES
ClC1=CC(Br)=CC(Cl)=C1SC1=NC(NC2=CC=C(C=C2)C#N)=NC=C1
InChIKey
InChIKey=YJTUFBOPZSTLKK-UHFFFAOYSA-N
Formula
C17H9BrCl2N4S
Mass
452.15
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
-
Subclass
Aryl thioethers
- Level 5 Diarylthioethers
-
Subclass
Aryl thioethers
-
Class
Thioethers
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylthioethers
Alternative Parents
Thiophenol ethers Aniline and substituted anilines Benzonitriles Dichlorobenzenes Aminopyrimidines and derivatives Bromobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Secondary amines Azacyclic compounds Nitriles Organopnictogen compounds Organobromides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Diarylthioether - Benzonitrile - 1,3-dichlorobenzene - Aniline or substituted anilines - Thiophenol ether - Aminopyrimidine - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Secondary amine - Sulfenyl compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organochloride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors
Not available