Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)SC1=C(C(=O)N(C(=S)N1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=SITUQQOMTQNTHB-UHFFFAOYSA-N
Formula
C29H19ClN2O2S2
Mass
527.05
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
4-halobenzoic acids and derivatives
Alternative Parents
Thiobenzoic acids and derivatives Aryl thioethers Benzoyl derivatives Pyrimidones Pyrimidinethiones Chlorobenzenes Aryl chlorides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Thioureas Thioesters Carbothioic S-esters Lactams Sulfenyl compounds Azacyclic compounds Carboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Thiobenzoic acid or derivatives - Aryl thioether - Benzoyl - Pyrimidone - Pyrimidinethione - Halobenzene - Chlorobenzene - Pyrimidine - Aryl halide - Aryl chloride - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Lactam - Carbothioic s-ester - Thiocarboxylic acid ester - Thiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available