Compound Identification
SMILES
BrC1=CC=C(C=C1)N1C(CNC(=O)COC2=CC=CC=C2)=NN=C1SCC(=O)NC1=NC=CS1
InChIKey
InChIKey=XVJAYFFKIYMXEI-UHFFFAOYSA-N
Formula
C22H19BrN6O3S2
Mass
559.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Triazoles
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Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
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Level 5
Phenyltriazoles
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Subclass
Triazoles
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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
N-arylamides Phenol ethers Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Thiazoles Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Phenol ether - Phenoxy compound - Aryl thioether - N-arylamide - Alkyl aryl ether - Bromobenzene - Halobenzene - Alkylarylthioether - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic 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