Compound Identification
SMILES
CC1=C2SC(=NC2=C(C)C=C1)N(CC1=CC=CO1)C(=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=CRDRZVXIZSOHFQ-UHFFFAOYSA-N
Formula
C21H17ClN2O2S
Mass
396.89
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzothiazoles Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Furans Tertiary amines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organochlorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - 1,3-benzothiazole - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Furan - Tertiary carboxylic acid amide - Thiazole - Vinylogous halide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available