Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C1=NN=C2SC(CC(O)=O)C(=NN12)C1=CC=C(F)C=C1
InChIKey
InChIKey=MAIUTGMKLUABFN-UHFFFAOYSA-N
Formula
C21H19FN4O5S
Mass
458.46
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
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organofluorides Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen 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