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2-{[3-(Biphenyl-4-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-hydra-zinecarbothioamide

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2-{[3-(Biphenyl-4-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-hydra-zinecarbothioamide
SpectraBase Compound ID 37EMyJcPiWQ
InChI InChI=1S/C23H19N5S/c24-23(29)26-25-15-20-16-28(21-9-5-2-6-10-21)27-22(20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-16H,(H3,24,26,29)/b25-15+
InChIKey OQDVWDGJKPVMGO-MFKUBSTISA-N
Mol Weight 397.5 g/mol
Molecular Formula C23H19N5S
Exact Mass 397.136117 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 79H68PeK9SV
Name 2-{[3-(Biphenyl-4-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-hydra-zinecarbothioamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.136116806 u
Formula C23H19N5S
InChI InChI=1S/C23H19N5S/c24-23(29)26-25-15-20-16-28(21-9-5-2-6-10-21)27-22(20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-16H,(H3,24,26,29)/b25-15+
InChIKey OQDVWDGJKPVMGO-MFKUBSTISA-N
Molecular Weight 397.500 g/mol
SMILES C=1N(N=C(C1\C=N\NC(=S)N)C=1C=CC(=CC1)C1=CC=CC=C1)C=1C=CC=CC1