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5-(1H-Benzoimidazol-2-ylsulfanylmethyl)-2-phenyl-4-(phenyl-hydrazono)- 2,4-dihydro- pyrazol-3-one

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5-(1H-Benzoimidazol-2-ylsulfanylmethyl)-2-phenyl-4-(phenyl-hydrazono)- 2,4-dihydro- pyrazol-3-one
SpectraBase Compound ID 11eRZ8z25kC
InChI InChI=1S/C23H18N6OS/c30-22-21(27-26-16-9-3-1-4-10-16)20(28-29(22)17-11-5-2-6-12-17)15-31-23-24-18-13-7-8-14-19(18)25-23/h1-14,26H,15H2,(H,24,25)/b27-21+
InChIKey CYFOLYFYJLELPV-SZXQPVLSSA-N
Mol Weight 426.5 g/mol
Molecular Formula C23H18N6OS
Exact Mass 426.12628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3QidTtWnq9X
Name 5-(1H-Benzoimidazol-2-ylsulfanylmethyl)-2-phenyl-4-(phenyl-hydrazono)- 2,4-dihydro- pyrazol-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.126280397 u
Formula C23H18N6OS
InChI InChI=1S/C23H18N6OS/c30-22-21(27-26-16-9-3-1-4-10-16)20(28-29(22)17-11-5-2-6-12-17)15-31-23-24-18-13-7-8-14-19(18)25-23/h1-14,26H,15H2,(H,24,25)/b27-21+
InChIKey CYFOLYFYJLELPV-SZXQPVLSSA-N
Molecular Weight 426.498 g/mol
SMILES C1(N(N=C(\C1=N\NC1=CC=CC=C1)CSC1=NC2=CC=CC=C2N1)C1=CC=CC=C1)=O