Compound Identification
SMILES
CC1=C(C)C=C(NC(=O)CN2N=C3C=CC(SC4CCCCC4)=NN3C2=O)C=C1
InChIKey
InChIKey=VGDHMLOUKCOZSX-UHFFFAOYSA-N
Formula
C21H25N5O2S
Mass
411.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Triazoles
-
Level 5
Triazolones
- Level 6 Aryl 1,2,4-triazolones
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Level 5
Triazolones
-
Subclass
Triazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Triazolones
Direct Parent
Aryl 1,2,4-triazolones
Alternative Parents
Triazolopyridazines Anilides o-Xylenes N-arylamides Alkylarylthioethers Pyridazines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl 1,2,4-triazol-3-one - Triazolopyridazine - Anilide - Aryl thioether - N-arylamide - O-xylene - Xylene - Alkylarylthioether - Monocyclic benzene moiety - Pyridazine - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Sulfenyl compound - Thioether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl 1,2,4-triazolones. These are aromatic heterocyclic compounds containing a 1,2,4-triazolone moiety that is substituted at the 5-position with an aryl group.
External Descriptors
Not available