2-[[3-[2-(1-Methylethoxy)phenyl]-1H-1,2,4-triazol-5-yl]thio]acetic acid

CAS Registry Number®

50616-44-9

CAS Name

2-[[3-[2-(1-Methylethoxy)phenyl]-1H-1,2,4-triazol-5-yl]thio]acetic acid

Molecular Formula

C13H15N3O3S

Molecular Mass

293.34

Cite this Page

2-[[3-[2-(1-Methylethoxy)phenyl]-1H-1,2,4-triazol-5-yl]thio]acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50616-44-9 (retrieved 2024-11-24) (CAS RN: 50616-44-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H15N3O3S/c1-8(2)19-10-6-4-3-5-9(10)12-14-13(16-15-12)20-7-11(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)(H,14,15,16)

InChIKey

InChIKey=PKQRPTBQWYLOJD-UHFFFAOYSA-N

SMILES

O(C(C)C)C1=C(C=2NC(SCC(O)=O)=NN2)C=CC=C1

Canonical SMILES

O=C(O)CSC1=NN=C(N1)C=2C=CC=CC2OC(C)C

Other Names for this Substance

  • Acetic acid, 2-[[3-[2-(1-methylethoxy)phenyl]-1H-1,2,4-triazol-5-yl]thio]-
  • Acetic acid, [[5-[2-(1-methylethoxy)phenyl]-1H-1,2,4-triazol-3-yl]thio]-
  • 2-[[3-[2-(1-Methylethoxy)phenyl]-1H-1,2,4-triazol-5-yl]thio]acetic acid
  • [5-(2-Isopropoxy-phenyl)-4H-[1,2,4]triazol-3-yl-sulfanyl]acetic acid
  • [5-(2-Isopropoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid

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