Compound Identification
SMILES
O=C(COC(=O)C1=CC(=NC2=CC=CC=C12)C1=CC=CS1)NC1=C(C=CS1)C#N
InChIKey
InChIKey=GNCYUPQHMBBELZ-UHFFFAOYSA-N
Formula
C21H13N3O3S2
Mass
419.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Quinolines and derivatives
Alternative Parents
Pyridinecarboxylic acids N-arylamides Benzenoids Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - N-arylamide - Pyridine - Benzenoid - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
External Descriptors
Not available