2,4-Dihydro-5-[(4-methylphenoxy)methyl]-4-phenyl-3H-1,2,4-triazole-3-thione

CAS Registry Number®

76111-27-8
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CAS Name

2,4-Dihydro-5-[(4-methylphenoxy)methyl]-4-phenyl-3H-1,2,4-triazole-3-thione

Molecular Formula

C16H15N3OS

Molecular Mass

297.37

Cite this Page

2,4-Dihydro-5-[(4-methylphenoxy)methyl]-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=76111-27-8 (retrieved 2024-09-19) (CAS RN: 76111-27-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    198-200 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H15N3OS/c1-12-7-9-14(10-8-12)20-11-15-17-18-16(21)19(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,18,21)

InChIKey

InChIKey=LNWUGGPDGVUHOY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

S=C1NN=C(N1C=2C=CC=CC2)COC3=CC=C(C=C3)C

Other Names for this Substance

  • 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-[(4-methylphenoxy)methyl]-4-phenyl-
  • 2,4-Dihydro-5-[(4-methylphenoxy)methyl]-4-phenyl-3H-1,2,4-triazole-3-thione
  • 3-[(4-Methylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione