Compound Identification
SMILES
COC1=CC(C=CC1=O)=C(C)NNC(=O)CSC1=NN=C(N1C1=CC=CC=C1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=VPJKCBMQWDXJAA-UHFFFAOYSA-N
Formula
C25H22BrN5O3S
Mass
552.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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
P-quinomethanes Bromobenzenes Alkylarylthioethers Aryl bromides Heteroaromatic compounds Carboxylic acid hydrazides Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - P-quinomethane - Aryl thioether - Quinomethane - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Heteroaromatic compound - Cyclic ketone - Carboxylic acid hydrazide - Ketone - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic 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