Compound Identification
SMILES
CC1=C(C)C=C(C=C1)N1N=C2C=CC(NC(=O)C3=C(Cl)C=CC(Br)=C3)=CC2=N1
InChIKey
InChIKey=TVDOAFISKAJKBI-UHFFFAOYSA-N
Formula
C21H16BrClN4O
Mass
455.74
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-1,2,3-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-1,2,3-triazoles
Alternative Parents
2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzamides Benzotriazoles o-Xylenes Benzoyl derivatives Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Organobromides Organochlorides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,3-triazole - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzotriazole - Benzoic acid or derivatives - Benzamide - O-xylene - Benzoyl - Xylene - Chlorobenzene - Halobenzene - Bromobenzene - Benzenoid - Aryl halide - Aryl chloride - Aryl bromide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group.
External Descriptors
Not available