Compound Identification
SMILES
ClC1=CC(Cl)=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=ZGCXZOHQCDDGQP-UHFFFAOYSA-N
Formula
C26H13Cl2N3O3S2
Mass
550.43
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
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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
2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Thienopyrimidines Benzoyl derivatives Dichlorobenzenes Pyrimidones Pyrimidinethiones Aryl chlorides Vinylogous halides Vinylogous amides Thiophenes Heteroaromatic compounds Thioureas Carboxylic acid esters Lactams Nitriles Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Organochlorides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Thienopyrimidine - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Pyrimidinethione - Pyrimidone - Aryl chloride - Aryl halide - Pyrimidine - Thiophene - Vinylogous halide - Vinylogous amide - Heteroaromatic compound - Thiourea - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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