Compound Identification
SMILES
CC1=CC(Br)=C(NC(=O)CSC2=NN=C(N2CC2=CC=CO2)C2=CN=CC=C2)C(Br)=C1
InChIKey
InChIKey=KBUBNKMJLQHJPK-UHFFFAOYSA-N
Formula
C21H17Br2N5O2S
Mass
563.27
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Pyridyltriazoles
- Level 5 Pyridyl-1,2,4-triazoles
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Subclass
Pyridyltriazoles
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Class
Pyridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridyltriazoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyridyl-1,2,4-triazoles
Alternative Parents
Anilides N-arylamides Alkylarylthioethers Bromobenzenes Toluenes Aryl bromides Heteroaromatic compounds Furans Triazoles Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridyl-1,2,4-triazole - Anilide - Aryl thioether - N-arylamide - Bromobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Furan - Heteroaromatic compound - Triazole - 1,2,4-triazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Thioether - Oxacycle - Sulfenyl compound - Carboxylic acid derivative - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole ring.
External Descriptors
Not available