Compound Identification
SMILES
CCN(CCC#N)C1=CC(C)=C(C=C1)N=NC1=C(SC(SC)=C1C(=O)OC)C(C)=O
InChIKey
InChIKey=CQTHNKQESVYKMZ-UHFFFAOYSA-N
Formula
C21H24N4O3S2
Mass
444.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Thiophene carboxylic acids and derivatives
Alternative Parents
Dialkylarylamines Aryl alkyl ketones Aniline and substituted anilines Aminotoluenes Alkylarylthioethers Vinylogous thioesters Methyl esters Heteroaromatic compounds Azo compounds Amino acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiophene carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Aryl ketone - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Aminotoluene - Aryl thioether - Toluene - Alkylarylthioether - Vinylogous thioester - Monocyclic benzene moiety - Benzenoid - Methyl ester - Heteroaromatic compound - Tertiary amine - Ketone - Carboxylic acid ester - Azo compound - Amino acid or derivatives - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Cyanide - Amine - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof).
External Descriptors
Not available