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4-{[(E)-(4-methoxyphenyl)methylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID N7apxwFSq
InChI InChI=1S/C16H14N4OS/c1-21-14-9-7-12(8-10-14)11-17-20-15(18-19-16(20)22)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,22)/b17-11+
InChIKey BXIQSSYWDJBGQJ-GZTJUZNOSA-N
Mol Weight 310.38 g/mol
Molecular Formula C16H14N4OS
Exact Mass 310.088832 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HxB9BrqayNS
Name 4-{[(E)-(4-methoxyphenyl)methylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.088832260 u
Formula C16H14N4OS
InChI InChI=1S/C16H14N4OS/c1-21-14-9-7-12(8-10-14)11-17-20-15(18-19-16(20)22)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,22)/b17-11+
InChIKey BXIQSSYWDJBGQJ-GZTJUZNOSA-N
Molecular Weight 310.375 g/mol
SMILES N1N=C(N(C1=S)\N=C\C=1C=CC(=CC1)OC)C=1C=CC=CC1