Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C(C)SC2=NN=C(CNC(=O)C3=CC=CO3)N2C2=CC=C(Br)C=C2)SC2=C1CCCC2
InChIKey
InChIKey=ABQRONZRDSTGRX-UHFFFAOYSA-N
Formula
C28H28BrN5O5S2
Mass
658.59
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-1,2,4-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
Thiophene carboxylic acids and derivatives 2-heteroaryl carboxamides N-arylamides Furoic acid and derivatives Alkylarylthioethers Bromobenzenes Aryl bromides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organobromides Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - 2-heteroaryl carboxamide - Furoic acid or derivatives - Aryl thioether - Thiophene carboxylic acid or derivatives - N-arylamide - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Thiophene - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Oxacycle - Thioether - Sulfenyl compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organopnictogen compound - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organosulfur compound - Organic nitrogen 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