Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(C=C1)C(C#N)=C1SC3=C(C=C(C=C3)C(F)(F)F)N1C2=O
InChIKey
InChIKey=SXFYPFFQFJKEKK-UHFFFAOYSA-N
Formula
C17H6F3N3O3S
Mass
389.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinolones and derivatives
-
Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Isoquinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolones and derivatives
Alternative Parents
Benzothiazoles Nitroaromatic compounds Pyridinones Benzenoids Thiazoles Heteroaromatic compounds Lactams Organic oxoazanium compounds Nitriles Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Alkyl fluorides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - 1,3-benzothiazole - Nitroaromatic compound - Pyridinone - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Lactam - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxoazanium - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors
Not available