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3-(2-furanyl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enyl]thio]-4-phenyl-1,2,4-triazole

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3-(2-furanyl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enyl]thio]-4-phenyl-1,2,4-triazole
SpectraBase Compound ID 975psjm7xFx
InChI InChI=1S/C21H16N4O3S/c26-25(27)18-12-10-16(11-13-18)6-5-15-29-21-23-22-20(19-9-4-14-28-19)24(21)17-7-2-1-3-8-17/h1-14H,15H2/b6-5+
InChIKey UVVMDHNBXWEUQX-AATRIKPKSA-N
Mol Weight 404.44 g/mol
Molecular Formula C21H16N4O3S
Exact Mass 404.094312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3vo3CA6UoJ5
Name 3-(2-Furanyl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enyl]thio]-4-phenyl-1,2,4-triazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.094311562 u
Formula C21H16N4O3S
InChI InChI=1S/C21H16N4O3S/c26-25(27)18-12-10-16(11-13-18)6-5-15-29-21-23-22-20(19-9-4-14-28-19)24(21)17-7-2-1-3-8-17/h1-14H,15H2/b6-5+
InChIKey UVVMDHNBXWEUQX-AATRIKPKSA-N
Molecular Weight 404.444 g/mol
SMILES C1=CC=C(N2C(=NN=C2SC\C=C\C=2C=CC(N(=O)=O)=CC2)C=2OC=CC2)C=C1