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4H-1,2,4-Triazole-3-thiol, 5-benzylthiomethyl-4-phenyl-
SpectraBase Compound ID 1XO9zCdIPG3
InChI InChI=1S/C16H15N3S2/c20-16-18-17-15(19(16)14-9-5-2-6-10-14)12-21-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,20)
InChIKey FOLJLLOCGPNDEV-UHFFFAOYSA-N
Mol Weight 313.44 g/mol
Molecular Formula C16H15N3S2
Exact Mass 313.07074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3IGMFbjGzO
Name 4H-1,2,4-Triazole-3-thiol, 5-benzylthiomethyl-4-phenyl-
Alternate Name(s) 3-(benzylsulfanylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione 3-[(benzylthio)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione 4-Phenyl-3-[(phenylmethylsulfanyl)methyl]-1H-1,2,4-triazole-5-thione 4-Phenyl-3-[(phenylmethylthio)methyl]-1H-1,2,4-triazole-5-thione 5-[(Benzylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
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Formula C16H15N3S2
InChI InChI=1S/C16H15N3S2/c20-16-18-17-15(19(16)14-9-5-2-6-10-14)12-21-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,20)
InChIKey FOLJLLOCGPNDEV-UHFFFAOYSA-N
Molecular Weight 313.437 g/mol
SMILES Sc1[n](c(nn1)CSCc1ccccc1)-c1ccccc1
SPLASH splash10-0006-8912000000-23fc3154b170c4c93780
Source of Spectrum AD-0-2532-0
Wiley ID 1428841