Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C1=NN=C2SC(CBr)CN12
InChIKey
InChIKey=NKDYQISUUXCSGU-UHFFFAOYSA-N
Formula
C11H9BrN4O2S
Mass
341.18
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
-
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
Nitrobenzenes Nitroaromatic compounds Alkylarylthioethers Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Alkyl bromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Thioether - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Alkyl halide - Organonitrogen compound - Organobromide - Alkyl bromide - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic salt - Organic cation - 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