Compound Identification
SMILES
CSC1=C(C=C(C(=O)N=C(N)N)C(C)=C1)S(C)(=O)=O
InChIKey
InChIKey=GVLUXMDSOLPHPV-UHFFFAOYSA-N
Formula
C11H15N3O3S2
Mass
301.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
P-sulfanylbenzoic acids and derivatives
Alternative Parents
o-Toluamides Benzenesulfonyl compounds Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Acylguanidines Sulfones Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-sulfanylbenzoic acid or derivatives - Benzenesulfonyl group - O-toluamide - Toluamide - Aryl thioether - Benzoyl - Thiophenol ether - Acylguanidine - Alkylarylthioether - Toluene - Sulfone - Sulfonyl - Guanidine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively.
External Descriptors
Not available