Compound Identification
SMILES
COC1=CC(OC)=CC(NC(=O)CSC2=NN=C(N2C2=CC=C(Br)C=C2)C2=CC=NC=C2)=C1
InChIKey
InChIKey=XKTAOQILFKCFPH-UHFFFAOYSA-N
Formula
C23H20BrN5O3S
Mass
526.41
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
Phenyl-1,2,4-triazoles Dimethoxybenzenes Anilides Methoxyanilines Phenoxy compounds Anisoles N-arylamides Alkyl aryl ethers Alkylarylthioethers Bromobenzenes Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyltriazole - Phenyl-1,2,4-triazole - Pyridyl-1,2,4-triazole - Dimethoxybenzene - M-dimethoxybenzene - Methoxyaniline - Anilide - Methoxybenzene - Phenol ether - Aryl thioether - Phenoxy compound - N-arylamide - Anisole - Bromobenzene - Halobenzene - Alkylarylthioether - Alkyl aryl ether - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Secondary carboxylic acid amide - Carboxamide group - Thioether - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Ether - Organic oxide - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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