Compound Identification
SMILES
N#CC1=CC=CC=C1NCSC1=NN=C(O1)C12CC3CC(CC(C3)C1)C2
InChIKey
InChIKey=BZCYVUGHPSTIRC-UHFFFAOYSA-N
Formula
C20H22N4OS
Mass
366.48
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
Phenylalkylamines Alkylarylthioethers Heteroaromatic compounds 1,3,4-oxadiazoles Sulfenyl compounds Oxacyclic compounds Nitriles Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl thioether - Benzonitrile - Phenylalkylamine - Alkylarylthioether - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Carbonitrile - Nitrile - Thioether - Sulfenyl compound - Oxacycle - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic 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