Compound Identification
SMILES
COC1=C(Br)C=C(F)C(=C1)N1C(=O)N2CCCCN2C1=O
InChIKey
InChIKey=ATDWCGOWAVPYAV-UHFFFAOYSA-N
Formula
C13H13BrFN3O3
Mass
358.167
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Triazoles
-
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
Triazolopyridazines Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Urazoles Alkyl aryl ethers Bromobenzenes Fluorobenzenes Pyridazines and derivatives Aryl bromides Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Organobromides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Triazolopyridazine - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Urazole - Pyridazine - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Heteroaromatic compound - Azacycle - Ether - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organobromide - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen 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