Compound Identification
SMILES
NC1=C(SC(NC2=CC=CC=C2F)=C1C#N)C(=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=ZJVKYTJOQQWNCQ-UHFFFAOYSA-N
Formula
C19H12FN3O3S
Mass
381.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Aniline and substituted anilines Aryl ketones Fluorobenzenes N-arylated-2-aminothiophenes Primary aromatic amines Aryl fluorides Heteroaromatic compounds Vinylogous amides Oxacyclic compounds Acetals Nitriles Organofluorides Hydrocarbon derivatives Organopnictogen compounds Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - 3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxylic acid or derivatives - Aryl ketone - Aniline or substituted anilines - Fluorobenzene - Halobenzene - N-arylated-2-aminothiophene - Aminothiophene - Aryl fluoride - 2-aminothiophene - Aryl halide - Monocyclic benzene moiety - Primary aromatic amine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Ketone - Oxacycle - Acetal - Carbonitrile - Nitrile - Amine - Organopnictogen compound - Primary amine - Aldehyde - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available