Compound Identification
SMILES
CCOC(=O)CC1=CSC(N1C1=CC=CC=C1)=C(C#N)C#N
InChIKey
InChIKey=MCBKDWGYEKOMHO-UHFFFAOYSA-N
Formula
C16H13N3O2S
Mass
311.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Aniline and substituted anilines
Alternative Parents
Thiazolines Thioenol ethers Ketene acetals Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aniline or substituted anilines - Meta-thiazoline - Carboxylic acid ester - Ketene acetal or derivatives - Thioenolether - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
External Descriptors
Not available