S-[3-[3-[(4-Methylphenyl)methoxy]-2-thienyl]-1H-1,2,4-triazol-5-yl] benzeneethanethioate

CAS Registry Number®

685106-58-5
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CAS Name

S-[3-[3-[(4-Methylphenyl)methoxy]-2-thienyl]-1H-1,2,4-triazol-5-yl] benzeneethanethioate

Molecular Formula

C22H19N3O2S2

Molecular Mass

421.54

Cite this Page

S-[3-[3-[(4-Methylphenyl)methoxy]-2-thienyl]-1H-1,2,4-triazol-5-yl] benzeneethanethioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=685106-58-5 (retrieved 2024-08-02) (CAS RN: 685106-58-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H19N3O2S2/c1-15-7-9-17(10-8-15)14-27-18-11-12-28-20(18)21-23-22(25-24-21)29-19(26)13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,23,24,25)

InChIKey

InChIKey=CHHLKMJQKCQDMH-UHFFFAOYSA-N

SMILES

O(CC1=CC=C(C)C=C1)C2=C(SC=C2)C=3NC(SC(CC4=CC=CC=C4)=O)=NN3

Canonical SMILES

O=C(SC1=NN=C(N1)C=2SC=CC2OCC3=CC=C(C=C3)C)CC=4C=CC=CC4

Other Names for this Substance

  • Benzeneethanethioic acid, S-[3-[3-[(4-methylphenyl)methoxy]-2-thienyl]-1H-1,2,4-triazol-5-yl] ester
  • Benzeneethanethioic acid, S-[5-[3-[(4-methylphenyl)methoxy]-2-thienyl]-1H-1,2,4-triazol-3-yl] ester
  • S-[3-[3-[(4-Methylphenyl)methoxy]-2-thienyl]-1H-1,2,4-triazol-5-yl] benzeneethanethioate