Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NC(CCNC(=O)C2=CC(F)=C(F)C=C2)=CS1
InChIKey
InChIKey=IEPCISXFLKLARN-UHFFFAOYSA-N
Formula
C19H16F2N2O2S
Mass
374.41
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
3-halobenzoic acids and derivatives Benzamides Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - 2,4-disubstituted 1,3-thiazole - Aryl fluoride - Aryl halide - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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