Compound Identification
SMILES
CC1=NN(C(OC(=O)C2=CC=CC3=CC=CC=C23)=C1SC1=CC=C(Cl)C=C1)C(C)(C)C
InChIKey
InChIKey=VMILKHRJQYSPPB-UHFFFAOYSA-N
Formula
C25H23ClN2O2S
Mass
450.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenecarboxylic acids and derivatives
Alternative Parents
Diarylthioethers Thiophenol ethers Chlorobenzenes Aryl chlorides Pyrazoles Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalenecarboxylic acid or derivatives - Diarylthioether - Aryl thioether - Thiophenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Pyrazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids and derivatives. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group or a derivative at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available