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2-[(4'-PHENYL-1'H-PYRAZOL-3'-YLSULFONYL)-METHYL]-5-PHENYL-1,3,4-THIADIAZOLE

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2-[(4'-PHENYL-1'H-PYRAZOL-3'-YLSULFONYL)-METHYL]-5-PHENYL-1,3,4-THIADIAZOLE
SpectraBase Compound ID 7KtX2x2VOcP
InChI InChI=1S/C18H14N4O2S2/c23-26(24,18-15(11-19-22-18)13-7-3-1-4-8-13)12-16-20-21-17(25-16)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,22)
InChIKey HQGPQWWCZJPMLB-UHFFFAOYSA-N
Mol Weight 382.46 g/mol
Molecular Formula C18H14N4O2S2
Exact Mass 382.055818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 31bEJbdXYO7
Name 2-[(4'-PHENYL-1'H-PYRAZOL-3'-YLSULFONYL)-METHYL]-5-PHENYL-1,3,4-THIADIAZOLE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14N4O2S2
InChI InChI=1S/C18H14N4O2S2/c23-26(24,18-15(11-19-22-18)13-7-3-1-4-8-13)12-16-20-21-17(25-16)14-9-5-2-6-10-14/h1-11H,12H2,(H,19,22)
InChIKey HQGPQWWCZJPMLB-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,S.N.REDDY,K.MAHESH
Literature Reference Citation CHEM.PHARM.BULL.,57,1376(2009)
Literature Reference DOI 10.1248/cpb.57.1376
Molecular Weight 382.455 g/mol
Sample ID 3195
Solvent DMSO-D6