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3-(benzylthio)-4-(p-chlorophenyl)-5-(1,5-dimethylpyrazol-3-yl)-4H-1,2,4-triazole
SpectraBase Compound ID 1bylGMXDSTp
InChI InChI=1S/C20H18ClN5S/c1-14-12-18(24-25(14)2)19-22-23-20(27-13-15-6-4-3-5-7-15)26(19)17-10-8-16(21)9-11-17/h3-12H,13H2,1-2H3
InChIKey BTGDBBHFGWEZJZ-UHFFFAOYSA-N
Mol Weight 395.91 g/mol
Molecular Formula C20H18ClN5S
Exact Mass 395.097144 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 77M9Lch4C3l
Name 3-(benzylthio)-4-(p-chlorophenyl)-5-(1,5-dimethylpyrazol-3-yl)-4H-1,2,4-triazole
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Formula C20H18ClN5S
InChI InChI=1S/C20H18ClN5S/c1-14-12-18(24-25(14)2)19-22-23-20(27-13-15-6-4-3-5-7-15)26(19)17-10-8-16(21)9-11-17/h3-12H,13H2,1-2H3
InChIKey BTGDBBHFGWEZJZ-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 46191M
Solvent CDCl3