Compound Identification
SMILES
CC1=C(Cl)C2=NC(=NN2N1)C1=CC(NCOCOC(=O)C2=C(F)C(F)=C(F)C=C2)=CC=C1
InChIKey
InChIKey=IHDUGJVOCHLTFG-UHFFFAOYSA-N
Formula
C20H15ClF3N5O3
Mass
465.82
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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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
2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzoic acid esters Phenylalkylamines Benzoyl derivatives Secondary alkylarylamines Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Pyrazoles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Acetals Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Phenylalkylamine - Halobenzene - Fluorobenzene - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Benzenoid - Pyrazole - Heteroaromatic compound - Vinylogous halide - Carboxylic acid ester - Acetal - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organofluoride - Organochloride - Organic oxygen compound - Organohalogen 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