Compound Identification
SMILES
CCCOC1=C(OC)C=C(C=C1Br)C(=O)N(C)C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=MNQORCSNDQRWSQ-UHFFFAOYSA-N
Formula
C19H19BrN2O3S
Mass
435.34
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
Benzothiazoles Benzamides Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 1,3-benzothiazole - Benzamide - Anisole - Phenoxy compound - Methoxybenzene - Benzoyl - Phenol ether - Bromobenzene - Alkyl aryl ether - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Azole - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Tertiary amine - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organic oxygen compound - Organic oxide - 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