Compound Identification
SMILES
ClC1=C(C=C(I)C=C1)C(=O)NC1=C(C#N)C2=C(CCCC2)S1
InChIKey
InChIKey=VWLMXCNKSVPEOJ-UHFFFAOYSA-N
Formula
C16H12ClIN2OS
Mass
442.7
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
3-halobenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Iodobenzenes Chlorobenzenes N-acyl amines Vinylogous halides Thiophenes Heteroaromatic compounds Thioenol ethers Vinyl iodides Vinyl chlorides Sulfenyl compounds Nitriles Iodoalkenes Chloroalkenes Carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Iodobenzene - Halobenzene - Chlorobenzene - N-acyl-amine - Heteroaromatic compound - Vinylogous halide - Thiophene - Thioenolether - Carboxamide group - Iodoalkene - Chloroalkene - Haloalkene - Organoheterocyclic compound - Sulfenyl compound - Vinyl iodide - Vinyl halide - Vinyl chloride - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available