Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)CSC2=NN=C(CNC(=O)C3=CC=C(C=C3)[N+]([O-])=O)N2C2=CC=C(F)C=C2)SC2=C1CCC2
InChIKey
InChIKey=JQMCKXDEKPCPKC-UHFFFAOYSA-N
Formula
C28H25FN6O6S2
Mass
624.66
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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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
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Class
Azoles
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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
Benzamides Nitrobenzenes Thiophene carboxylic acids and derivatives Benzoyl derivatives Nitroaromatic compounds N-arylamides Fluorobenzenes Alkylarylthioethers Aryl fluorides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Thiophene carboxylic acid or derivatives - N-arylamide - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl fluoride - Vinylogous amide - Heteroaromatic compound - Thiophene - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Sulfenyl compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Thioether - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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