Compound Identification
SMILES
CC1=NN=C(SCC2=NC(=CO2)C(=O)NCCCN2CCOCC2)N1C1=CC=CC(C)=C1
InChIKey
InChIKey=KZIAIFPHPIMCLP-UHFFFAOYSA-N
Formula
C22H28N6O3S
Mass
456.57
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
-
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
2-heteroaryl carboxamides Toluenes Alkylarylthioethers 2,4-disubstituted oxazoles Morpholines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - 2-heteroaryl carboxamide - Aryl thioether - 2,4-disubstituted 1,3-oxazole - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Oxazinane - Morpholine - Oxazole - Heteroaromatic compound - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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