Compound Identification
SMILES
COC1=CC=CC(=C1)C(=O)C1=C(N)C2=C(S1)N=C(C=C2C(F)(F)F)C1=CC=CC=C1
InChIKey
InChIKey=WWAWKDIKNNDTOG-UHFFFAOYSA-N
Formula
C22H15F3N2O2S
Mass
428.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Aryl-phenylketones Phenylpyridines Thienopyridines Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Thiophene carboxylic acids and derivatives Alkyl aryl ethers Aminothiophenes Heteroaromatic compounds Vinylogous amides Azacyclic compounds Primary amines Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Aryl-phenylketone - 2-phenylpyridine - Thienopyridine - Phenol ether - Phenoxy compound - Thiophene carboxylic acid or derivatives - Aryl ketone - Methoxybenzene - Benzoyl - Anisole - Alkyl aryl ether - Pyridine - Benzenoid - Aminothiophene - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Thiophene - Ketone - Azacycle - Ether - Organoheterocyclic compound - Organohalogen compound - Primary amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available