Compound Identification
SMILES
COC1=CC=C(C=C1)C1=C(C)SC(NC(=O)C2=CC=CC=C2I)=N1
InChIKey
InChIKey=TYDDDCQBCDABIR-UHFFFAOYSA-N
Formula
C18H15IN2O2S
Mass
450.29
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 Phenoxy compounds 2,4,5-trisubstituted thiazoles Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Iodobenzenes Aryl iodides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Organoiodides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - 2,4,5-trisubstituted 1,3-thiazole - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Halobenzene - Iodobenzene - Aryl iodide - Aryl halide - Heteroaromatic compound - Azole - Vinylogous halide - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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