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

CAS Registry Number®

305337-14-8
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CAS Name

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

Molecular Formula

C13H15N3O2S

Molecular Mass

277.34

Cite this Page

2-[[4-Ethyl-5-(phenylmethyl)-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=305337-14-8 (retrieved 2024-09-07) (CAS RN: 305337-14-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H15N3O2S/c1-2-16-11(8-10-6-4-3-5-7-10)14-15-13(16)19-9-12(17)18/h3-7H,2,8-9H2,1H3,(H,17,18)

InChIKey

InChIKey=SOFFAYFOYGHQBD-UHFFFAOYSA-N

SMILES

C(C)N1C(CC2=CC=CC=C2)=NN=C1SCC(O)=O

Canonical SMILES

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

Other Names for this Substance

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

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