Compound Identification
SMILES
CC1=CC=C(C=C1)C1=[N+](C(SCC(=O)NNC=C2C(=O)C=CC3=CC=CC=C23)=NN1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=BARCAUJCGLWMIZ-UHFFFAOYSA-O
Formula
C28H23ClN5O2S
Mass
529.03
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
Naphthalenes Alkylarylthioethers Chlorobenzenes Toluenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Cyclic ketones Carboxylic acid hydrazides Sulfenyl compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Naphthalene - Aryl thioether - Chlorobenzene - Halobenzene - Toluene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Carboxylic acid hydrazide - Ketone - Sulfenyl compound - Thioether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - 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