Compound Identification
SMILES
CC(=O)C1SC=CN(C1=O)C1=CC=CC=C1C
InChIKey
InChIKey=YPUZXCHSIJKREK-UHFFFAOYSA-N
Formula
C13H13NO2S
Mass
247.31
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
1,4-thiazines 1,3-dicarbonyl compounds Tertiary carboxylic acid amides Thioenol ethers Lactams Ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Toluene - Para-thiazine - 1,3-dicarbonyl compound - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Lactam - Thioenolether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - 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