Compound Identification
SMILES
CC1=CC(=CC=C1)N1C(=S)N(C[NH+]2CCC(CC2)C(N)=O)N=C1C1=CC=C(Cl)C=C1
InChIKey
InChIKey=DNXZGJKPDCUTQZ-UHFFFAOYSA-O
Formula
C22H25ClN5OS
Mass
442.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Piperidinecarboxamides Toluenes Chlorobenzenes Aryl chlorides Quaternary ammonium salts Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organosulfur compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Piperidinecarboxamide - Chlorobenzene - Halobenzene - Toluene - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Piperidine - Heteroaromatic compound - Quaternary ammonium salt - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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