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3-Chloro-N-[2-methyl-4(3H)-oxo-3-quinazolinyl]-2-thianaphthenecarboxamide

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3-Chloro-N-[2-methyl-4(3H)-oxo-3-quinazolinyl]-2-thianaphthenecarboxamide
SpectraBase Compound ID 3wRs2a9py7E
InChI InChI=1S/C18H12ClN3O2S/c1-10-20-13-8-4-2-6-11(13)18(24)22(10)21-17(23)16-15(19)12-7-3-5-9-14(12)25-16/h2-9H,1H3,(H,21,23)
InChIKey QJIGNTNNUOTHTI-UHFFFAOYSA-N
Mol Weight 369.83 g/mol
Molecular Formula C18H12ClN3O2S
Exact Mass 369.033876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5NeQB6B7M59
Name 3-Chloro-N-[2-methyl-4(3H)-oxo-3-quinazolinyl]-2-thianaphthenecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.033875510 u
Formula C18H12ClN3O2S
InChI InChI=1S/C18H12ClN3O2S/c1-10-20-13-8-4-2-6-11(13)18(24)22(10)21-17(23)16-15(19)12-7-3-5-9-14(12)25-16/h2-9H,1H3,(H,21,23)
InChIKey QJIGNTNNUOTHTI-UHFFFAOYSA-N
Molecular Weight 369.826 g/mol
SMILES C12=CC=CC=C2C(Cl)=C(S1)C(NN1C(C2=C(N=C1C)C=CC=C2)=O)=O