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1-[(2,3-dihydro-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)carbonyl]-4-(p-fluorophenyl)-3-thiosemicarbazide
SpectraBase Compound ID LQsTlBocgHc
InChI InChI=1S/C14H12FN5O2S2/c15-8-1-3-9(4-2-8)17-13(23)19-18-11(21)10-7-16-14-20(12(10)22)5-6-24-14/h1-4,7H,5-6H2,(H,18,21)(H2,17,19,23)
InChIKey WGTFWFWGMZMDFZ-UHFFFAOYSA-N
Mol Weight 365.4 g/mol
Molecular Formula C14H12FN5O2S2
Exact Mass 365.041645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G40VR0XVPOH
Name 1-[(2,3-Dihydro-5-oxo-5H-thiazolo[3,2-A]pyrimidin-6-yl)carbonyl]-4-(p-fluorophenyl)-3-thiosemicarbazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.041645155 u
Formula C14H12FN5O2S2
InChI InChI=1S/C14H12FN5O2S2/c15-8-1-3-9(4-2-8)17-13(23)19-18-11(21)10-7-16-14-20(12(10)22)5-6-24-14/h1-4,7H,5-6H2,(H,18,21)(H2,17,19,23)
InChIKey WGTFWFWGMZMDFZ-UHFFFAOYSA-N
Molecular Weight 365.401 g/mol
SMILES N(NC(NC=1C=CC(=CC1)F)=S)C(C1=CN=C2SCCN2C1=O)=O