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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16N4O5S
Molecular Weight 340.355
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((4-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID

SMILES

COC1=CC(=CC(OC)=C1OC)C2=NN=C(SCC(O)=O)N2N

InChI

InChIKey=IBYJOXYTJSULBV-UHFFFAOYSA-N
InChI=1S/C13H16N4O5S/c1-20-8-4-7(5-9(21-2)11(8)22-3)12-15-16-13(17(12)14)23-6-10(18)19/h4-5H,6,14H2,1-3H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C13H16N4O5S
Molecular Weight 340.355
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:27:45 GMT 2025
Edited
by admin
on Mon Mar 31 22:27:45 GMT 2025
Record UNII
2HU30J169F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETIC ACID, ((4-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-
Preferred Name English
2-((4-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETIC ACID
Systematic Name English
ACETIC ACID, 2-((4-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-
Systematic Name English
Code System Code Type Description
CAS
110767-58-3
Created by admin on Mon Mar 31 22:27:45 GMT 2025 , Edited by admin on Mon Mar 31 22:27:45 GMT 2025
PRIMARY
PUBCHEM
936406
Created by admin on Mon Mar 31 22:27:45 GMT 2025 , Edited by admin on Mon Mar 31 22:27:45 GMT 2025
PRIMARY
FDA UNII
2HU30J169F
Created by admin on Mon Mar 31 22:27:45 GMT 2025 , Edited by admin on Mon Mar 31 22:27:45 GMT 2025
PRIMARY