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4-(2,4-Dimethylphenyl)-5-(3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID BPRY1JRHiAX
InChI InChI=1S/C16H14N4O2S/c1-10-6-7-14(11(2)8-10)19-15(17-18-16(19)23)12-4-3-5-13(9-12)20(21)22/h3-9H,1-2H3,(H,18,23)
InChIKey PGDKHZPBAJYBCS-UHFFFAOYSA-N
Mol Weight 326.37 g/mol
Molecular Formula C16H14N4O2S
Exact Mass 326.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBZ5eKyQlFu
Name 4-(2,4-Dimethylphenyl)-5-(3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N4O2S
InChI InChI=1S/C16H14N4O2S/c1-10-6-7-14(11(2)8-10)19-15(17-18-16(19)23)12-4-3-5-13(9-12)20(21)22/h3-9H,1-2H3,(H,18,23)
InChIKey PGDKHZPBAJYBCS-UHFFFAOYSA-N
Molecular Weight 326.374 g/mol
SMILES N1N=C(N(C1=S)c1c(cc(cc1)C)C)c1cc(N(=O)=O)ccc1
SPLASH splash10-002f-4294000000-c7fdde4c22939d8eb4f1
Source of Spectrum F2-45-5204-8d
Wiley ID 1703820