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2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 9RMUVQS0Fqu
InChI InChI=1S/C17H15ClN4OS/c1-11-2-4-12(5-3-11)16-20-21-17(24-10-15(19)23)22(16)14-8-6-13(18)7-9-14/h2-9H,10H2,1H3,(H2,19,23)
InChIKey UVVJPNUZODNSJC-UHFFFAOYSA-N
Mol Weight 358.85 g/mol
Molecular Formula C17H15ClN4OS
Exact Mass 358.06551 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0pnOJeS9Ys
Name 2-{[4-(4-Chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.065509992 u
Formula C17H15ClN4OS
InChI InChI=1S/C17H15ClN4OS/c1-11-2-4-12(5-3-11)16-20-21-17(24-10-15(19)23)22(16)14-8-6-13(18)7-9-14/h2-9H,10H2,1H3,(H2,19,23)
InChIKey UVVJPNUZODNSJC-UHFFFAOYSA-N
Molecular Weight 358.847 g/mol
SMILES NC(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)C1=CC=C(C=C1)Cl)=O