Compound Identification
SMILES
COC(=O)CSC1=C(C#N)C(C(C#N)C(=O)N1)C1=CC=CC=C1C
InChIKey
InChIKey=XYPSWAAPWIMKHZ-UHFFFAOYSA-N
Formula
C17H15N3O3S
Mass
341.39
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
Tetrahydropyridines Methyl esters Secondary carboxylic acid amides Lactams Ketene acetals Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Tetrahydropyridine - Toluene - Hydropyridine - Methyl ester - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Cyanide - 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