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

View entire compound with spectra: 2 NMR

2-{[4-phenyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID Lc8K109Zkll
InChI InChI=1S/C18H19N5OS/c1-13-7-9-14(10-8-13)20-11-17-21-22-18(25-12-16(19)24)23(17)15-5-3-2-4-6-15/h2-10,20H,11-12H2,1H3,(H2,19,24)
InChIKey NACBPWUDWMVORE-UHFFFAOYSA-N
Mol Weight 353.44 g/mol
Molecular Formula C18H19N5OS
Exact Mass 353.131031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8aCZg2UYfbw
Name 2-{[4-Phenyl-5-(4-toluidinomethyl)-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 353.131031425 u
Formula C18H19N5OS
InChI InChI=1S/C18H19N5OS/c1-13-7-9-14(10-8-13)20-11-17-21-22-18(25-12-16(19)24)23(17)15-5-3-2-4-6-15/h2-10,20H,11-12H2,1H3,(H2,19,24)
InChIKey NACBPWUDWMVORE-UHFFFAOYSA-N
SMILES N(CC=1N(C(SCC(=O)N)=NN1)C=1C=CC=CC1)C=1C=CC(C)=CC1