Compound Identification
SMILES
CC[NH+](CC)C1=CC([O-])=C(C=NNC(=O)CSC2=NN=C(N2C2=CC=CC=C2)C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=XCBFVHGDBDIJQX-UHFFFAOYSA-N
Formula
C27H27BrN6O2S
Mass
579.52
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
Phenylalkylamines Aniline and substituted anilines Phenoxides Alkylarylthioethers Bromobenzenes Aryl bromides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Aryl thioether - Phenylalkylamine - Aniline or substituted anilines - Bromobenzene - Halobenzene - Phenoxide - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Azacycle - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - 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