Compound Identification
SMILES
COC1=C(OC)C=C2C(=O)N(CC3=CC=CC=C3)C(SC3=C(C=CC(=C3)[N+]([O-])=O)C(O)=O)=NC2=C1
InChIKey
InChIKey=BHHYPCRVXWRUHY-UHFFFAOYSA-N
Formula
C24H19N3O7S
Mass
493.49
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 Anisoles Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Pyrimidones Vinylogous thioesters Heteroaromatic compounds Lactams Organic oxoazanium compounds Monocarboxylic acids and derivatives Sulfenyl compounds Carboxylic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-pyrimidinylthiobenzoic acid - Nitrobenzoate - Diarylthioether - Diazanaphthalene - Quinazoline - O-sulfanylbenzoic acid or derivatives - O-sulfanylbenzoic acid - Nitrobenzene - Benzoyl - Anisole - Nitroaromatic compound - Thiophenol ether - Aryl thioether - Pyrimidone - Alkyl aryl ether - Vinylogous thioester - Pyrimidine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Lactam - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic zwitterion - Organic nitrogen compound - Organic oxygen 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