Compound Identification
SMILES
NC(CSC(CC1=CNC2=CC=CC=C12)=NO)C(O)=O
InChIKey
InChIKey=GREVXYZKHGJYAU-UHFFFAOYSA-N
Formula
C13H15N3O3S
Mass
293.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Thiohydroximic acids and derivatives
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Subclass
Thiohydroximic acids
- Level 5 S-alkyl-thiohydroximates
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Subclass
Thiohydroximic acids
-
Class
Thiohydroximic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Thiohydroximic acids and derivatives
Subclass
Thiohydroximic acids
Intermediate Tree Nodes
Not available
Direct Parent
S-alkyl-thiohydroximates
Alternative Parents
Cysteine and derivatives Alpha amino acids 3-alkylindoles Substituted pyrroles Benzenoids Heteroaromatic compounds Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
S-alkyl-thiohydroximate - Cysteine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Sulfenyl compound - Organic oxide - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as s-alkyl-thiohydroximates. These are organosulfur compounds with the general structure RC(S)=NOH, where R =alkyl group.
External Descriptors
META CYC (CPD-7547) : a small molecule