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4-{[(4',6'-Dimethyl-3'-cyano-2'-pyridiny)thio]-2-phenylhydrazono]-5-methyl-2-phenyl-2,4-dihydropyrazol-3-one
SpectraBase Compound ID 4wR2H4gFVBJ
InChI InChI=1S/C24H20N6OS/c1-15-13-16(2)26-23(19(15)14-25)32-21-12-8-7-11-20(21)27-28-22-17(3)29-30(24(22)31)18-9-5-4-6-10-18/h4-13,27H,1-3H3/b28-22-
InChIKey BTTUFYMISKSGRP-SLMZUGIISA-N
Mol Weight 440.53 g/mol
Molecular Formula C24H20N6OS
Exact Mass 440.14193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4YLyctY2VZy
Name 4-{[(4',6'-dimethyl-3'-cyano-2'-pyridiny)thio]-2-phenylhydrazono]-5-methyl-2-phenyl-2,4-dihydropyrazol-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.141930461 u
Formula C24H20N6OS
InChI InChI=1S/C24H20N6OS/c1-15-13-16(2)26-23(19(15)14-25)32-21-12-8-7-11-20(21)27-28-22-17(3)29-30(24(22)31)18-9-5-4-6-10-18/h4-13,27H,1-3H3/b28-22-
InChIKey BTTUFYMISKSGRP-SLMZUGIISA-N
Molecular Weight 440.525 g/mol
SMILES C1(N(N=C(\C1=N/NC1=C(SC=2C(=C(C)C=C(N2)C)C#N)C=CC=C1)C)C=1C=CC=CC1)=O