Compound Identification
SMILES
CC1CCC2=C(C1)SC(NC(=S)NC(=O)C1=CC=C(CN3C=C(Cl)C=N3)O1)=C2C#N
InChIKey
InChIKey=CXCOOCTVVHIPCY-UHFFFAOYSA-N
Formula
C20H18ClN5O2S2
Mass
459.97
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Furans
- Subclass Furoic acid and derivatives
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Class
Furans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Furans
Subclass
Furoic acid and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Furoic acid and derivatives
Alternative Parents
Aryl chlorides Thiophenes Pyrazoles Heteroaromatic compounds Thioureas Oxacyclic compounds Nitriles Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Furoic acid or derivatives - Aryl chloride - Aryl halide - Azole - Pyrazole - Thiophene - Heteroaromatic compound - Thiourea - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Oxacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as furoic acid and derivatives. These are aromatic heterocyclic compounds containing a furan ring, which carries a carboxyl group or a derivative thereof.
External Descriptors
Not available