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

CAS Registry Number®

436090-58-3

CAS Name

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

Molecular Formula

C12H13N3O2S

Molecular Mass

263.32

Cite this Page

2-[[4-Methyl-5-(4-methylphenyl)-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=436090-58-3 (retrieved 2025-01-01) (CAS RN: 436090-58-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=CDWRSEQLHRSAJD-UHFFFAOYSA-N

SMILES

CN1C(=NN=C1SCC(O)=O)C2=CC=C(C)C=C2

Canonical SMILES

O=C(O)CSC1=NN=C(C=2C=CC(=CC2)C)N1C

Other Names for this Substance

  • Acetic acid, 2-[[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-
  • Acetic acid, [[4-methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-
  • 2-[[4-Methyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid

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