Compound Identification
SMILES
CCOC(=O)C(C#N)=C1SC=C(N)N1C1=CC=CC=C1
InChIKey
InChIKey=MHWCDGSRDAGZHU-UHFFFAOYSA-N
Formula
C14H13N3O2S
Mass
287.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Vinylogous thioesters Vinylogous amides Thiazolines Enoate esters Thioenol ethers Ketene acetals Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - Vinylogous thioester - Meta-thiazoline - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Ketene acetal or derivatives - Thioenolether - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxygen compound - Organic oxide - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors
Not available