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1H-1,2,4-triazol-3-amine, 5-[[(4-aminophenyl)methyl]thio]-
SpectraBase Compound ID 4PIhHurofbV
InChI InChI=1S/C9H11N5S/c10-7-3-1-6(2-4-7)5-15-9-12-8(11)13-14-9/h1-4H,5,10H2,(H3,11,12,13,14)
InChIKey RJCMMIAAWJWXGK-UHFFFAOYSA-N
Mol Weight 221.28 g/mol
Molecular Formula C9H11N5S
Exact Mass 221.073517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CXjLtLaCDf
Name 1H-1,2,4-triazol-3-amine, 5-[[(4-aminophenyl)methyl]thio]-
Alternate Name(s) 5-((4-Aminobenzyl)thio)-1H-1,2,4-triazol-3-amine 5-[(4-Aminobenzyl)sulfanyl]-1H-1,2,4-triazol-3-amine 3-[(4-Aminophenyl)methylthio]-1H-1,2,4-triazol-5-amine 3-[(4-Aminophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
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Formula C9H11N5S
InChI InChI=1S/C9H11N5S/c10-7-3-1-6(2-4-7)5-15-9-12-8(11)13-14-9/h1-4H,5,10H2,(H3,11,12,13,14)
InChIKey RJCMMIAAWJWXGK-UHFFFAOYSA-N
Molecular Weight 221.282 g/mol
SMILES Nc1ccc(CSc2nc(N)n[nH]2)cc1
SPLASH splash10-0aor-9700000000-ce10b167c8d7e9f2fd24
Source of Spectrum JX-2015-0-464
Wiley ID 1720404