Compound Identification
SMILES
O=C(CSC1=NN2C(C=C1)=NN=C2C1=CC=CC=C1)NCC1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=PEODGURVXMQJJY-UHFFFAOYSA-N
Formula
C21H17N5O3S
Mass
419.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Triazoles
-
Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
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Level 5
Phenyltriazoles
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Subclass
Triazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
Triazolopyridazines Benzodioxoles Alkylarylthioethers Benzene and substituted derivatives Pyridazines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Acetals Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Benzodioxole - Triazolopyridazine - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Pyridazine - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Thioether - Oxacycle - Sulfenyl compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors
Not available