Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)OC1=C(SC2=C1C(=O)N(C(=S)N2C1=CC=CC=C1)C1=CC=CC=C1)C#N
InChIKey
InChIKey=MJHQXPJDEXWRQG-UHFFFAOYSA-N
Formula
C26H14ClN3O3S2
Mass
515.99
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
4-halobenzoic acids and derivatives Thienopyrimidines Benzoyl derivatives Chlorobenzenes Pyrimidinethiones Pyrimidones Aryl chlorides Heteroaromatic compounds Vinylogous amides Thiophenes Lactams Carboxylic acid esters Thioureas Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Thienopyrimidine - Benzoyl - Chlorobenzene - Halobenzene - Pyrimidinethione - Pyrimidone - Aryl chloride - Pyrimidine - Aryl halide - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxylic acid ester - Thiourea - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxide - Organosulfur compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available