Compound Identification
SMILES
FC1=CC=C(C=C1)C(=O)N=C1SC2=C(C=CC(Cl)=C2)N1CC#C
InChIKey
InChIKey=LUUHOPKLTYHPNV-UHFFFAOYSA-N
Formula
C17H10ClFN2OS
Mass
344.79
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
Benzothiazoles Benzoyl derivatives Fluorobenzenes Aryl chlorides Aryl fluorides Thiazoles Heteroaromatic compounds Isothioureas Acetylides Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - 1,3-benzothiazole - Benzoyl - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Isothiourea - Acetylide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen 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