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2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-1-biphenyl-4-yl-ethanone

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

2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-1-biphenyl-4-yl-ethanone
SpectraBase Compound ID B0PUt2yukl5
InChI InChI=1S/C16H13N3OS2/c17-15-18-19-16(22-15)21-10-14(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18)
InChIKey KLRKJVZGVZOVTI-UHFFFAOYSA-N
Mol Weight 327.42 g/mol
Molecular Formula C16H13N3OS2
Exact Mass 327.050004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2HgMW20qaZj
Name 2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-1-biphenyl-4-yl-ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.050004398 u
Formula C16H13N3OS2
InChI InChI=1S/C16H13N3OS2/c17-15-18-19-16(22-15)21-10-14(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18)
InChIKey KLRKJVZGVZOVTI-UHFFFAOYSA-N
Molecular Weight 327.420 g/mol
SMILES C1=CC=C(C=C1)C1=CC=C(C(CSC=2SC(N)=NN2)=O)C=C1