Compound Identification
SMILES
[H]C(CSC1=NC(C(C)C2=C(F)C=CC=C2F)=C(CC)C(O)=N1)=C([H])C1=CC=C(C=C1)C#N
InChIKey
InChIKey=HUGILHWBPILREC-UHFFFAOYSA-N
Formula
C24H21F2N3OS
Mass
437.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Styrenes Hydroxypyrimidines Fluorobenzenes Alkylarylthioethers Aryl fluorides Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - Benzonitrile - Styrene - Hydroxypyrimidine - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Pyrimidine - Heteroaromatic compound - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available