Compound Identification
SMILES
COC(=O)CSC1=C(C#N)[C@H](C2=CC=CC=C2C)C(C#N)=C(N)N1
InChIKey
InChIKey=SAPUAFCWSGOABQ-OAHLLOKOSA-N
Formula
C17H16N4O2S
Mass
340.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Toluenes
Alternative Parents
Dihydropyridines Methyl esters Ketene acetals Amino acids and derivatives Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dihydropyridine - Toluene - Hydropyridine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Secondary amine - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors
Not available