Compound Identification
SMILES
N#CC1=CC=C(CSC2=NSN=C2C2CN3CC2CCC3)C=C1
InChIKey
InChIKey=HUPQOSJKCVYLKN-UHFFFAOYSA-N
Formula
C17H18N4S2
Mass
342.48
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
Azepanes Aralkylamines Alkylarylthioethers Piperidines N-alkylpyrrolidines Thiadiazoles Heteroaromatic compounds Trialkylamines Sulfenyl compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl thioether - Benzonitrile - Azepane - Aralkylamine - Alkylarylthioether - Piperidine - N-alkylpyrrolidine - Azole - Heteroaromatic compound - Pyrrolidine - Thiadiazole - Tertiary amine - Tertiary aliphatic amine - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Amine - 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