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3-[(4-methoxyphenyl)sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-[(4-methoxyphenyl)sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID CRz3BR41KRa
InChI InChI=1S/C16H15N3OS2/c1-20-13-7-9-14(10-8-13)22-11-15-17-18-16(21)19(15)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,21)
InChIKey MSFBIHGWKFFJPD-UHFFFAOYSA-N
Mol Weight 329.44 g/mol
Molecular Formula C16H15N3OS2
Exact Mass 329.065654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OAjULBchNI
Name 3-[(4-methoxyphenyl)sulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3OS2
InChI InChI=1S/C16H15N3OS2/c1-20-13-7-9-14(10-8-13)22-11-15-17-18-16(21)19(15)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,21)
InChIKey MSFBIHGWKFFJPD-UHFFFAOYSA-N
Molecular Weight 329.436 g/mol
SMILES Sc1[n](c(nn1)CSc1ccc(cc1)OC)-c1ccccc1
SPLASH splash10-002f-3902000000-a079cc9409a609fc6524
Synonyms 3-[[(4-methoxyphenyl)thio]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Wiley ID 1451782