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4-(4-phenoxyphenyl)-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol

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

4-(4-phenoxyphenyl)-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID F8GLr4d6yEU
InChI InChI=1S/C18H13N3OS2/c23-18-20-19-17(16-7-4-12-24-16)21(18)13-8-10-15(11-9-13)22-14-5-2-1-3-6-14/h1-12H,(H,20,23)
InChIKey UCDQWMOHVXQLRG-UHFFFAOYSA-N
Mol Weight 351.44 g/mol
Molecular Formula C18H13N3OS2
Exact Mass 351.050004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CklNy0uT0bK
Name 4-(4-phenoxyphenyl)-3-(2-thienyl)-1H-1,2,4-triazole-5-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3OS2
InChI InChI=1S/C18H13N3OS2/c23-18-20-19-17(16-7-4-12-24-16)21(18)13-8-10-15(11-9-13)22-14-5-2-1-3-6-14/h1-12H,(H,20,23)
InChIKey UCDQWMOHVXQLRG-UHFFFAOYSA-N
Molecular Weight 351.442 g/mol
SMILES Sc1[n](c(nn1)-c1sccc1)-c1ccc(Oc2ccccc2)cc1
SPLASH splash10-0ufr-9301000000-c8a361a1e94225a6cf44
Synonyms 4-(4-phenoxyphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione 4H-[1,2,4]Triazole-3-thiol, 4-(4-phenoxyphenyl)-5-thiophen-2-yl-
Wiley ID 1439100