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6-[1,1'-biphenyl]-4-yl-3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

View entire compound with spectra: 2 NMR

6-[1,1'-biphenyl]-4-yl-3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID 7QQvTOYKsPa
InChI InChI=1S/C22H15ClN4S/c23-19-12-10-18(11-13-19)21-24-25-22-27(21)26-20(14-28-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2
InChIKey XMFBSJGMRWRQTB-UHFFFAOYSA-N
Mol Weight 402.9 g/mol
Molecular Formula C22H15ClN4S
Exact Mass 402.070595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4K0XQV0aox0
Name 6-[1,1'-Biphenyl]-4-yl-3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.070595373 u
Formula C22H15ClN4S
InChI InChI=1S/C22H15ClN4S/c23-19-12-10-18(11-13-19)21-24-25-22-27(21)26-20(14-28-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2
InChIKey XMFBSJGMRWRQTB-UHFFFAOYSA-N
Molecular Weight 402.903 g/mol
SMILES C=1C=CC(C=2C=CC(C3=NN4C(=NN=C4SC3)C=3C=CC(=CC3)Cl)=CC2)=CC1