Ethyl 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]acetate

CAS Registry Number®

91759-70-5
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CAS Name

Ethyl 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]acetate

Molecular Formula

C18H17N3O2S

Molecular Mass

339.41

Cite this Page

Ethyl 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=91759-70-5 (retrieved 2024-09-14) (CAS RN: 91759-70-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    103 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H17N3O2S/c1-2-23-16(22)13-24-18-20-19-17(14-9-5-3-6-10-14)21(18)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3

InChIKey

InChIKey=LOTMEANLMQXAPB-UHFFFAOYSA-N

SMILES

S(CC(OCC)=O)C=1N(C(=NN1)C2=CC=CC=C2)C3=CC=CC=C3

Canonical SMILES

O=C(OCC)CSC1=NN=C(C=2C=CC=CC2)N1C=3C=CC=CC3

Other Names for this Substance

  • Acetic acid, 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]-, ethyl ester
  • Acetic acid, [(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]-, ethyl ester
  • Ethyl 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]acetate