Compound Identification
SMILES
FC(F)(F)C1=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=QUBWWRLPDIUNCX-UHFFFAOYSA-N
Formula
C27H14F3N3O3S2
Mass
549.54
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
Trifluoromethylbenzenes Thienopyrimidines Benzoyl derivatives Pyrimidones Pyrimidinethiones Vinylogous amides Thiophenes Heteroaromatic compounds Thioureas Carboxylic acid esters Lactams Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Trifluoromethylbenzene - Thienopyrimidine - Benzoyl - Pyrimidinethione - Pyrimidone - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxylic acid ester - Lactam - Thiourea - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Alkyl fluoride - 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