1,5-Dihydro-3-(4-methylphenyl)-5-thioxo-4H-1,2,4-triazole-4-propanoic acid

CAS Registry Number®

847783-63-5
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CAS Name

1,5-Dihydro-3-(4-methylphenyl)-5-thioxo-4H-1,2,4-triazole-4-propanoic acid

Molecular Formula

C12H13N3O2S

Molecular Mass

263.32

Cite this Page

1,5-Dihydro-3-(4-methylphenyl)-5-thioxo-4H-1,2,4-triazole-4-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=847783-63-5 (retrieved 2024-08-12) (CAS RN: 847783-63-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13N3O2S/c1-8-2-4-9(5-3-8)11-13-14-12(18)15(11)7-6-10(16)17/h2-5H,6-7H2,1H3,(H,14,18)(H,16,17)

InChIKey

InChIKey=KPNUXYXNDBKZQB-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CCN1C(=S)NN=C1C=2C=CC(=CC2)C

Other Names for this Substance

  • 4H-1,2,4-Triazole-4-propanoic acid, 1,5-dihydro-3-(4-methylphenyl)-5-thioxo-
  • 1,5-Dihydro-3-(4-methylphenyl)-5-thioxo-4H-1,2,4-triazole-4-propanoic acid