3-(4-Ethoxyphenyl)-1,5-dihydro-5-thioxo-4H-1,2,4-triazole-4-acetic acid

CAS Registry Number®

847783-65-7
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CAS Name

3-(4-Ethoxyphenyl)-1,5-dihydro-5-thioxo-4H-1,2,4-triazole-4-acetic acid

Molecular Formula

C12H13N3O3S

Molecular Mass

279.31

Cite this Page

3-(4-Ethoxyphenyl)-1,5-dihydro-5-thioxo-4H-1,2,4-triazole-4-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=847783-65-7 (retrieved 2024-09-09) (CAS RN: 847783-65-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=CPIXDSLDXQRAPI-UHFFFAOYSA-N

SMILES

C(C(O)=O)N1C(=NNC1=S)C2=CC=C(OCC)C=C2

Canonical SMILES

O=C(O)CN1C(=S)NN=C1C=2C=CC(OCC)=CC2

Other Names for this Substance

  • 4H-1,2,4-Triazole-4-acetic acid, 3-(4-ethoxyphenyl)-1,5-dihydro-5-thioxo-
  • 3-(4-Ethoxyphenyl)-1,5-dihydro-5-thioxo-4H-1,2,4-triazole-4-acetic acid