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2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

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2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
SpectraBase Compound ID 3rVkRR8MtW3
InChI InChI=1S/C18H14N6OS2/c25-15(21-17-20-9-10-26-17)12-27-18-23-22-16(13-5-4-8-19-11-13)24(18)14-6-2-1-3-7-14/h1-11H,12H2,(H,20,21,25)
InChIKey FEANCYTXHUWOPG-UHFFFAOYSA-N
Mol Weight 394.47 g/mol
Molecular Formula C18H14N6OS2
Exact Mass 394.067051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKWwlz62A2I
Name 2-{[4-Phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.067051442 u
Formula C18H14N6OS2
InChI InChI=1S/C18H14N6OS2/c25-15(21-17-20-9-10-26-17)12-27-18-23-22-16(13-5-4-8-19-11-13)24(18)14-6-2-1-3-7-14/h1-11H,12H2,(H,20,21,25)
InChIKey FEANCYTXHUWOPG-UHFFFAOYSA-N
Molecular Weight 394.471 g/mol
SMILES N(C1=NC=CS1)C(CSC=1N(C(=NN1)C1=CN=CC=C1)C1=CC=CC=C1)=O