Compound Identification
SMILES
COC1=C(Br)C=C(C=C1)C1=CSC(NC(=S)NC(=O)C2=CC(Cl)=CC=C2)=N1
InChIKey
InChIKey=DOUZTDIUUSIRAD-UHFFFAOYSA-N
Formula
C18H13BrClN3O2S2
Mass
482.8
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
Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes 2,4-disubstituted thiazoles Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Organic oxides Organobromides Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Halobenzene - Chlorobenzene - Bromobenzene - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Thiazole - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic 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