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4H-1,2,4-triazol-4-amine, 3,5-bis[[(phenylmethyl)thio]methyl]-
SpectraBase Compound ID AT3jSMnGJo6
InChI InChI=1S/C18H20N4S2/c19-22-17(13-23-11-15-7-3-1-4-8-15)20-21-18(22)14-24-12-16-9-5-2-6-10-16/h1-10H,11-14,19H2
InChIKey YIVQPHYSMHQROA-UHFFFAOYSA-N
Mol Weight 356.51 g/mol
Molecular Formula C18H20N4S2
Exact Mass 356.112939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EedaKdRoRR
Name 3,5-bis(benzylsulfanylmethyl)-1,2,4-triazol-4-amine
Alternate Name(s) 3,5-bis[(phenylmethylsulfanyl)methyl]-1,2,4-triazol-4-amine 3,5-bis[(phenylmethylthio)methyl]-1,2,4-triazol-4-amine [3,5-bis[(benzylthio)methyl]-1,2,4-triazol-4-yl]amine
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Formula C18H20N4S2
InChI InChI=1S/C18H20N4S2/c19-22-17(13-23-11-15-7-3-1-4-8-15)20-21-18(22)14-24-12-16-9-5-2-6-10-16/h1-10H,11-14,19H2
InChIKey YIVQPHYSMHQROA-UHFFFAOYSA-N
Molecular Weight 356.506 g/mol
SMILES N[n]1c(nnc1CSCc1ccccc1)CSCc1ccccc1
SPLASH splash10-01q9-8890000000-fcf257d61b015c7a54e3
Wiley ID 1450738