Compound Identification
SMILES
CC(=O)NC1=CC2=C(C=C1)N=C(NC(=S)NC(=O)C1=C(Cl)C=CC(I)=C1)S2
InChIKey
InChIKey=HRKGOHMLZBQAFW-UHFFFAOYSA-N
Formula
C17H12ClIN4O2S2
Mass
530.78
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
2-halobenzoic acids and derivatives N-acetylarylamines Benzothiazoles Benzoyl derivatives Iodobenzenes Chlorobenzenes N-acyl amines Vinylogous halides Thiazoles Heteroaromatic compounds Acetamides Vinyl iodides Vinyl chlorides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Iodoalkenes Chloroalkenes Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - N-acetylarylamine - 1,3-benzothiazole - N-arylamide - Benzoyl - Iodobenzene - Halobenzene - Chlorobenzene - N-acyl-amine - Heteroaromatic compound - Acetamide - Vinylogous halide - Thiazole - Azole - Carboxamide group - Azacycle - Iodoalkene - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Vinyl iodide - Vinyl halide - Vinyl chloride - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - 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