Compound Identification
SMILES
NCC1CN(CCO1)C1=NC(=O)\C(S1)=C/C1=CC2=C(C=C1)N(CC1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F)N=C2
InChIKey
InChIKey=LNCDAAYJUJPSLK-ODCIPOBUSA-N
Formula
C25H21F6N5O2S
Mass
569.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Indazoles Morpholines Thiazolines Pyrazoles Heteroaromatic compounds Amino acids and derivatives Isothioureas N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Dialkyl ethers Oxacyclic compounds Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives Organofluorides Organic oxides Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Benzopyrazole - Indazole - Morpholine - Oxazinane - Azole - Heteroaromatic compound - Pyrazole - Meta-thiazoline - Amino acid or derivatives - Isothiourea - N-acylimine - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Organic oxide - Carbonyl group - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available