Methyl 1-[(4-methylphenyl)sulfonyl]-1H-1,2,4-triazole-3-carboxylate

CAS Registry Number®

1346809-32-2
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CAS Name

Methyl 1-[(4-methylphenyl)sulfonyl]-1H-1,2,4-triazole-3-carboxylate

Molecular Formula

C11H11N3O4S

Molecular Mass

281.29

Cite this Page

Methyl 1-[(4-methylphenyl)sulfonyl]-1H-1,2,4-triazole-3-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1346809-32-2 (retrieved 2024-07-30) (CAS RN: 1346809-32-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H11N3O4S/c1-8-3-5-9(6-4-8)19(16,17)14-7-12-10(13-14)11(15)18-2/h3-7H,1-2H3

InChIKey

InChIKey=ZUYKOBDMUAVKHY-UHFFFAOYSA-N

SMILES

S(=O)(=O)(N1N=C(C(OC)=O)N=C1)C2=CC=C(C)C=C2

Canonical SMILES

O=C(OC)C=1N=CN(N1)S(=O)(=O)C2=CC=C(C=C2)C

Other Names for this Substance

  • 1H-1,2,4-Triazole-3-carboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, methyl ester
  • Methyl 1-[(4-methylphenyl)sulfonyl]-1H-1,2,4-triazole-3-carboxylate