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N-(4-ethoxyphenyl)-2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID IzOxfBA8AeT
InChI InChI=1S/C20H22N4O2S/c1-3-24-19(15-8-6-5-7-9-15)22-23-20(24)27-14-18(25)21-16-10-12-17(13-11-16)26-4-2/h5-13H,3-4,14H2,1-2H3,(H,21,25)
InChIKey OROXEFABSSXTTR-UHFFFAOYSA-N
Mol Weight 382.48 g/mol
Molecular Formula C20H22N4O2S
Exact Mass 382.146347 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5XxWhq1SbCR
Name N-(4-Ethoxyphenyl)-2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 382.146347136 u
Formula C20H22N4O2S
InChI InChI=1S/C20H22N4O2S/c1-3-24-19(15-8-6-5-7-9-15)22-23-20(24)27-14-18(25)21-16-10-12-17(13-11-16)26-4-2/h5-13H,3-4,14H2,1-2H3,(H,21,25)
InChIKey OROXEFABSSXTTR-UHFFFAOYSA-N
Molecular Weight 382.482 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=CC=C1)CC)=O)C=1C=CC(=CC1)OCC