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

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2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3,4-thiadiazol-2-yl)acetamide
SpectraBase Compound ID IlG0k6MUnaD
InChI InChI=1S/C17H13N7OS2/c25-14(20-16-22-19-11-27-16)10-26-17-23-21-15(12-5-4-8-18-9-12)24(17)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,20,22,25)
InChIKey FQEWRROPEDHBOZ-UHFFFAOYSA-N
Mol Weight 395.46 g/mol
Molecular Formula C17H13N7OS2
Exact Mass 395.0623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvEJjERTnOG
Name 2-{[4-Phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3,4-thiadiazol-2-yl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.062300414 u
Formula C17H13N7OS2
InChI InChI=1S/C17H13N7OS2/c25-14(20-16-22-19-11-27-16)10-26-17-23-21-15(12-5-4-8-18-9-12)24(17)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,20,22,25)
InChIKey FQEWRROPEDHBOZ-UHFFFAOYSA-N
Molecular Weight 395.459 g/mol
SMILES N(C=1SC=NN1)C(CSC=1N(C(=NN1)C1=CN=CC=C1)C1=CC=CC=C1)=O