Compound Identification
SMILES
COC(=O)CC(=O)CSC1=NN=C(C2COC3=CC=CC=C3O2)N1C1=CC=CC=C1
InChIKey
InChIKey=VULSEGAUFMQINH-UHFFFAOYSA-N
Formula
C21H19N3O5S
Mass
425.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Benzo-1,4-dioxanes Alkyl aryl ethers Alkylarylthioethers Fatty acid methyl esters Beta-keto acids and derivatives Para dioxins 1,3-dicarbonyl compounds Benzene and substituted derivatives Methyl esters Heteroaromatic compounds Ketones Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Benzo-1,4-dioxane - Benzodioxane - Aryl thioether - Alkyl aryl ether - Beta-keto acid - Fatty acid ester - Fatty acid methyl ester - Alkylarylthioether - Monocyclic benzene moiety - Keto acid - Para-dioxin - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Methyl ester - Heteroaromatic compound - Ketone - Carboxylic acid ester - Azacycle - Sulfenyl compound - Thioether - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aldehyde - 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