Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate

CAS Registry Number®

876717-79-2
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CAS Name

Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate

Molecular Formula

C13H14N4O3S

Molecular Mass

306.34

Cite this Page

Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=876717-79-2 (retrieved 2024-09-08) (CAS RN: 876717-79-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H14N4O3S/c1-8-14-13(17-16-8)21-7-11(18)15-10-5-3-4-9(6-10)12(19)20-2/h3-6H,7H2,1-2H3,(H,15,18)(H,14,16,17)

InChIKey

InChIKey=IQIKZKYNIVKEFE-UHFFFAOYSA-N

SMILES

N(C(CSC1=NN=C(C)N1)=O)C2=CC(C(OC)=O)=CC=C2

Canonical SMILES

O=C(OC)C=1C=CC=C(C1)NC(=O)CSC2=NN=C(N2)C

Other Names for this Substance

  • Benzoic acid, 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]-, methyl ester
  • Benzoic acid, 3-[[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-, methyl ester
  • Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate