Compound Identification
SMILES
CC1=NC=NC(=C1)C1=C(N=C(NC2=CC=CC(=C2)C#N)S1)C1=CC=CC(=C1)C#N
InChIKey
InChIKey=XKFFYBPPEQPGAB-UHFFFAOYSA-N
Formula
C22H14N6S
Mass
394.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Thiazoles
- Level 5 2,4,5-trisubstituted thiazoles
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Subclass
Thiazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Thiazoles
Intermediate Tree Nodes
Not available
Direct Parent
2,4,5-trisubstituted thiazoles
Alternative Parents
Benzonitriles Aniline and substituted anilines Pyrimidines and pyrimidine derivatives 2-amino-1,3-thiazoles Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4,5-trisubstituted 1,3-thiazole - Benzonitrile - Aniline or substituted anilines - Monocyclic benzene moiety - Pyrimidine - 1,3-thiazol-2-amine - Benzenoid - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Cyanide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.
External Descriptors
Not available