Compound Identification
SMILES
CC1=CC2=C(C=C1)N=C(SC1=C(C=CC(=C1)[N+]([O-])=O)C(O)=O)N(CC1=CC=CC=C1)C2=O
InChIKey
InChIKey=XYVZQXCDNSZWBC-UHFFFAOYSA-N
Formula
C23H17N3O5S
Mass
447.47
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
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Level 5
Benzoic acids
- Level 6 2-pyrimidinylthiobenzoic acids
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Level 5
Benzoic acids
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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
Benzoic acids
Direct Parent
2-pyrimidinylthiobenzoic acids
Alternative Parents
Nitrobenzoic acids and derivatives Diarylthioethers Quinazolines O-sulfanylbenzoic acids Nitrobenzenes Thiophenol ethers Benzoyl derivatives Nitroaromatic compounds Pyrimidones Vinylogous thioesters Heteroaromatic compounds Lactams Azacyclic compounds Sulfenyl compounds Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Organooxygen compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-pyrimidinylthiobenzoic acid - Nitrobenzoate - Diarylthioether - Diazanaphthalene - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - Quinazoline - Nitrobenzene - Benzoyl - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Pyrimidone - Pyrimidine - Vinylogous thioester - Heteroaromatic compound - Organic nitro compound - Lactam - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Organoheterocyclic compound - Thioether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-pyrimidinylthiobenzoic acids. These are benzoic acids that carry a 2-thiopyrimidine at the 2-position of the benzene ring.
External Descriptors
Not available