Structure Information
Structure

Compound Identification

SMILES

CC1CCC2=C(C1)SC(NC(=O)CSC1=NN=C(N1N)C1=CC=C(OC(F)F)C=C1)=C2C#N

InChIKey

InChIKey=KXOJMBZDXGZQTA-UHFFFAOYSA-N

Formula

C21H20F2N6O2S2

Mass

490.55

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Phenyltriazoles

Direct Parent

Phenyl-1,2,4-triazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenyl-1,2,4-triazole - Phenoxy compound - Aryl thioether - Phenol ether - N-arylamide - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Thioether - Sulfenyl compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Cyanide - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen 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

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