Compound Identification
SMILES
CC1=C(OCC(O)=O)C=CC(Br)=C1.NC(=N)SCC1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=NXFCZOXECPACSY-UHFFFAOYSA-N
Formula
C21H21BrN2O3S
Mass
461.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Naphthalenes Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Bromobenzenes Aryl bromides Isothioureas Sulfenyl compounds Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Organobromides Organopnictogen compounds Hydrocarbon derivatives Imines Organic oxides Carbonyl compounds
Molecular Framework
Not available
Substituents
Phenoxyacetate - Naphthalene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Isothiourea - Carboxylic acid derivative - Carboxylic acid - Ether - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboximidamide - Organic oxide - Organopnictogen compound - Imine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available