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5-([(4,5-Diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID Fv509I6gmd8
InChI InChI=1S/C18H15N5OS/c24-16-11-14(19-20-16)12-25-18-22-21-17(13-7-3-1-4-8-13)23(18)15-9-5-2-6-10-15/h1-10H,11-12H2,(H,20,24)
InChIKey ZDCJQJVJWUKFPJ-UHFFFAOYSA-N
Mol Weight 349.41 g/mol
Molecular Formula C18H15N5OS
Exact Mass 349.099731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zDu2Gf8OMz
Name 5-([(4,5-Diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl)-2,4-dihydro-3H-pyrazol-3-one
CAS Registry Number 305337-60-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N5OS
InChI InChI=1S/C18H15N5OS/c24-16-11-14(19-20-16)12-25-18-22-21-17(13-7-3-1-4-8-13)23(18)15-9-5-2-6-10-15/h1-10H,11-12H2,(H,20,24)
InChIKey ZDCJQJVJWUKFPJ-UHFFFAOYSA-N
Molecular Weight 349.412 g/mol
SMILES N1C(CC(=N1)CSc1[n](c(nn1)-c1ccccc1)-c1ccccc1)=O
SPLASH splash10-0udi-9570000000-39e2d833d52f83b843d0
Source of Spectrum AD-0-2532-0
Synonyms 3-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,4-dihydropyrazol-5-one 3-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-1,4-dihydropyrazol-5-one 5-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-2-pyrazolin-3-one Pyrazol-5(4H)-one, 3-(4,5-diphenyl-1,2,4-triazol-3-yl)thiomethyl-
Wiley ID 1425502