Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(=O)NCC1=NN=C(SCC(=O)NC2=NC3=CC=CC=C3S2)N1C1=CC=C(Br)C=C1
InChIKey
InChIKey=BGMMQRUBCQTTGW-UHFFFAOYSA-N
Formula
C25H18BrN7O4S2
Mass
624.49
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
Benzamides Benzothiazoles Nitrobenzenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Bromobenzenes Alkylarylthioethers Aryl bromides Heteroaromatic compounds Thiazoles Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Nitrobenzene - 1,3-benzothiazole - Benzoic acid or derivatives - Benzamide - Benzoyl - N-arylamide - Nitroaromatic compound - Aryl thioether - Alkylarylthioether - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl bromide - Benzenoid - Aryl halide - Heteroaromatic compound - Thiazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Sulfenyl compound - Thioether - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organobromide - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organooxygen 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