Compound Identification
SMILES
CCOC1=CC(=CC(OCC)=C1)C(=O)NC(=S)NC1=CC2=C(OC(=N2)C2=C(Br)C=CC(I)=C2)C=C1
InChIKey
InChIKey=VALQBUGIGRFUTF-UHFFFAOYSA-N
Formula
C25H21BrIN3O4S
Mass
666.33
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
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Phenoxy compounds Phenol ethers Benzoyl derivatives Iodobenzenes Bromobenzenes Alkyl aryl ethers N-acyl amines Oxazoles Heteroaromatic compounds Vinyl iodides Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Iodoalkenes Carboxylic acids and derivatives Bromoalkenes Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Iodobenzene - Halobenzene - Bromobenzene - Alkyl aryl ether - N-acyl-amine - Heteroaromatic compound - Oxazole - Azole - Oxacycle - Azacycle - Iodoalkene - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl iodide - Vinyl halide - Vinyl bromide - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available