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3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[[[(4-nitrophenyl)methyl]thio]methyl]-
SpectraBase Compound ID GXLMq2FCceL
InChI InChI=1S/C10H10N4O3S/c15-10-11-9(12-13-10)6-18-5-7-1-3-8(4-2-7)14(16)17/h1-4H,5-6H2,(H2,11,12,13,15)
InChIKey UBTURTVEQACBKX-UHFFFAOYSA-N
Mol Weight 266.27 g/mol
Molecular Formula C10H10N4O3S
Exact Mass 266.047361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSSR3Zrz5mt
Name 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[[[(4-nitrophenyl)methyl]thio]methyl]-
Alternate Name(s) 5-[[(4-nitrophenyl)methylthio]methyl]-1,2-dihydro-1,2,4-triazol-3-one 5-[(4-nitrophenyl)methylsulfanylmethyl]-1,2-dihydro-1,2,4-triazol-3-one
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Formula C10H10N4O3S
InChI InChI=1S/C10H10N4O3S/c15-10-11-9(12-13-10)6-18-5-7-1-3-8(4-2-7)14(16)17/h1-4H,5-6H2,(H2,11,12,13,15)
InChIKey UBTURTVEQACBKX-UHFFFAOYSA-N
Molecular Weight 266.275 g/mol
SMILES N1C(=NNC1=O)CSCc1ccc(cc1)N(=O)=O
SPLASH splash10-0002-9300000000-f7aa784f9724044c0ece
Source of Spectrum IY-1-4582-0
Wiley ID 1653803