Compound Identification
SMILES
CCC1=NN2C=CC(C)=CC2=C1SC(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=KSVMUDDZJTZFST-UHFFFAOYSA-N
Formula
C17H15ClN2OS
Mass
330.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Thiobenzoic acids and derivatives Pyrazolopyridines Aryl thioethers Benzoyl derivatives Chlorobenzenes Methylpyridines Aryl chlorides Pyrazoles Heteroaromatic compounds Thioesters Carbothioic S-esters Carboxylic acids and derivatives Sulfenyl compounds Azacyclic compounds Organochlorides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Pyrazolopyridine - Thiobenzoic acid or derivatives - Benzoyl - Aryl thioether - Chlorobenzene - Halobenzene - Methylpyridine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Pyrazole - Azole - Thiocarboxylic acid ester - Carbothioic s-ester - Azacycle - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available