Compound Identification
SMILES
COC1=C(OCCSC2=CC=C(F)C=C2)C(=CC(C=O)=C1)C#N
InChIKey
InChIKey=IAXPYDXAOLUXSI-UHFFFAOYSA-N
Formula
C17H14FNO3S
Mass
331.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoyl derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoyl derivatives
Alternative Parents
Thiophenol ethers Phenoxy compounds Methoxybenzenes Benzonitriles Benzaldehydes Anisoles Fluorobenzenes Alkylarylthioethers Alkyl aryl ethers Aryl fluorides Sulfenyl compounds Nitriles Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Anisole - Phenoxy compound - Aryl thioether - Benzaldehyde - Benzonitrile - Benzoyl - Phenol ether - Methoxybenzene - Thiophenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl-aldehyde - Aryl fluoride - Aryl halide - Sulfenyl compound - Thioether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Aldehyde - Organic oxide - Cyanide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
External Descriptors
Not available