Compound Identification
SMILES
CC1=CC=CC=C1CSC1=NN=C(CNC(=O)C2=CC=C(C=C2)C(F)(F)F)N1C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=ICRUDLJGDKUXCR-UHFFFAOYSA-N
Formula
C25H20F3N5O3S
Mass
527.52
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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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
Trifluoromethylbenzenes Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Toluenes Alkylarylthioethers Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organofluorides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic zwitterions Organic oxides Alkyl fluorides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Thioether - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organofluoride - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Alkyl halide - Organosulfur compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - 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