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

CAS Registry Number®

731001-98-2
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CAS Name

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

Molecular Formula

C12H13N3O3S

Molecular Mass

279.31

Cite this Page

2-[[4-(2-Methoxyphenyl)-5-methyl-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=731001-98-2 (retrieved 2024-08-15) (CAS RN: 731001-98-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13N3O3S/c1-8-13-14-12(19-7-11(16)17)15(8)9-5-3-4-6-10(9)18-2/h3-6H,7H2,1-2H3,(H,16,17)

InChIKey

InChIKey=BIORTDPZPGFJGS-UHFFFAOYSA-N

SMILES

S(CC(O)=O)C=1N(C(C)=NN1)C2=C(OC)C=CC=C2

Canonical SMILES

O=C(O)CSC1=NN=C(N1C=2C=CC=CC2OC)C

Other Names for this Substance

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