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

CAS Registry Number®

305337-11-5

CAS Name

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

Molecular Formula

C12H13N3O2S

Molecular Mass

263.32

Cite this Page

2-[(4-Ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=305337-11-5 (retrieved 2024-11-24) (CAS RN: 305337-11-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13N3O2S/c1-2-15-11(9-6-4-3-5-7-9)13-14-12(15)18-8-10(16)17/h3-7H,2,8H2,1H3,(H,16,17)

InChIKey

InChIKey=XYDMEZQTZHRQNA-UHFFFAOYSA-N

SMILES

C(C)N1C(=NN=C1SCC(O)=O)C2=CC=CC=C2

Canonical SMILES

O=C(O)CSC1=NN=C(C=2C=CC=CC2)N1CC

Other Names for this Substance

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

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