2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione

CAS Registry Number®

21358-13-4
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CAS Name

2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione

Molecular Formula

C15H13N3OS

Molecular Mass

283.35

Cite this Page

2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21358-13-4 (retrieved 2024-09-07) (CAS RN: 21358-13-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    157-159 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H13N3OS/c20-15-17-16-14(11-19-13-9-5-2-6-10-13)18(15)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,20)

InChIKey

InChIKey=CQOIKLYYYATDDP-UHFFFAOYSA-N

SMILES

C(OC1=CC=CC=C1)C=2N(C(=S)NN2)C3=CC=CC=C3

Canonical SMILES

S=C1NN=C(N1C=2C=CC=CC2)COC=3C=CC=CC3

Other Names for this Substance

  • 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(phenoxymethyl)-4-phenyl-
  • Δ2-1,2,4-Triazoline-5-thione, 3-(phenoxymethyl)-4-phenyl-
  • 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione

Deleted or Replaced CAS Registry Numbers

49656-87-3