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7-Cyano-3,4-diphenyl-6-phenylaminopyrido[2',3':4,5]thieno[2,3-c]pyridazine

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7-Cyano-3,4-diphenyl-6-phenylaminopyrido[2',3':4,5]thieno[2,3-c]pyridazine
SpectraBase Compound ID BSNwoAcu9ec
InChI InChI=1S/C28H17N5S/c29-17-20-16-22-26(31-27(20)30-21-14-8-3-9-15-21)24-23(18-10-4-1-5-11-18)25(32-33-28(24)34-22)19-12-6-2-7-13-19/h1-16H,(H,30,31)
InChIKey CGDWDTARLDBLMV-UHFFFAOYSA-N
Mol Weight 455.54 g/mol
Molecular Formula C28H17N5S
Exact Mass 455.120467 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7HGokS31aIn
Name 7-Cyano-3,4-diphenyl-6-phenylaminopyrido[2',3':4,5]thieno[2,3-C]pyridazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.120466741 u
Formula C28H17N5S
InChI InChI=1S/C28H17N5S/c29-17-20-16-22-26(31-27(20)30-21-14-8-3-9-15-21)24-23(18-10-4-1-5-11-18)25(32-33-28(24)34-22)19-12-6-2-7-13-19/h1-16H,(H,30,31)
InChIKey CGDWDTARLDBLMV-UHFFFAOYSA-N
Molecular Weight 455.539 g/mol
SMILES C1=2C(=C(C(=NN2)C=2C=CC=CC2)C=2C=CC=CC2)C=2C(S1)=CC(=C(N2)NC=1C=CC=CC1)C#N