Compound Identification
SMILES
COC1=C(Br)C=C(C=C1)C1=CSC(NC(=S)NC(=O)C2=CC(Br)=CC=C2)=N1
InChIKey
InChIKey=AQGYZOQIOXFBTM-UHFFFAOYSA-N
Formula
C18H13Br2N3O2S2
Mass
527.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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 Methoxybenzenes Benzoyl derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Thioureas Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Bromobenzene - Halobenzene - 2,4-disubstituted 1,3-thiazole - Aryl bromide - Aryl halide - Heteroaromatic compound - Azole - Thiazole - Thiourea - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - 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