Compound Identification
SMILES
CCOC1=CC=C(C=C1)C1=NN=C2C=CC(S[C@H](CC)C([O-])=O)=NN12
InChIKey
InChIKey=HIMKKUSVAIYKPI-CYBMUJFWSA-M
Formula
C17H17N4O3S
Mass
357.41
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
-
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
Triazolopyridazines Phenoxy compounds Phenol ethers Thia fatty acids Alkyl aryl ethers Alkylarylthioethers Pyridazines and derivatives Heteroaromatic compounds Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organonitrogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Triazolopyridazine - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Thia fatty acid - Monocyclic benzene moiety - Pyridazine - Fatty acyl - Benzenoid - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Thioether - Sulfenyl compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic anion - 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