Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)SCCCC[N+]1=CC=C(C=C1)C(N)=O
InChIKey
InChIKey=LECJEVMYTGZENK-UHFFFAOYSA-O
Formula
C18H21N2O2S
Mass
329.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinecarboxylic acids and derivatives
Alternative Parents
Thiobenzoic acids and derivatives Benzoic acids and derivatives Benzoyl derivatives Toluenes Pyridinium derivatives Heteroaromatic compounds Thioesters Primary carboxylic acid amides Carbothioic S-esters Azacyclic compounds Sulfenyl compounds Organic oxides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Pyridine carboxylic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - Toluene - Monocyclic benzene moiety - Pyridinium - Benzenoid - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Thiocarboxylic acid ester - Carbothioic s-ester - Thiocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.
External Descriptors
Not available