Compound Identification
SMILES
FC1=CC=C(C=C1)C1=NN(CC(=O)N2CCC3=C(CC2)N=C(S3)N2CCCCC2)C(=N1)C1=CC=C(F)C=C1
InChIKey
InChIKey=ZYSKDJLAQMYKJE-UHFFFAOYSA-N
Formula
C28H28F2N6OS
Mass
534.63
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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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
Dialkylarylamines Fluorobenzenes Azepines Piperidines Aryl fluorides 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Dialkylarylamine - Azepine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Benzenoid - Piperidine - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organooxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen 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