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4H-1,2,4-triazol-3-amine, 5-(phenylthio)-
SpectraBase Compound ID JjU8vQChVfA
InChI InChI=1S/C8H8N4S/c9-7-10-8(12-11-7)13-6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
InChIKey IQUJKDQZKMVDHB-UHFFFAOYSA-N
Mol Weight 192.24 g/mol
Molecular Formula C8H8N4S
Exact Mass 192.046967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HojRUrwtqBE
Name 4H-1,2,4-triazol-3-amine, 5-(phenylthio)-
Alternate Name(s) 5-(Phenylthio)-4H-1,2,4-triazol-3-amine 5-(Phenylsulfanyl)-4H-1,2,4-triazol-3-amine 3-(Phenylthio)-1H-1,2,4-triazol-5-amine 3-Phenylsulfanyl-1H-1,2,4-triazol-5-amine
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Formula C8H8N4S
InChI InChI=1S/C8H8N4S/c9-7-10-8(12-11-7)13-6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
InChIKey IQUJKDQZKMVDHB-UHFFFAOYSA-N
Molecular Weight 192.240 g/mol
SMILES Nc1nnc(Sc2ccccc2)[nH]1
SPLASH splash10-0006-4900000000-b81cffba3f2f3a5507a3
Source of Spectrum JX-2015-5-277
Wiley ID 1727124