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2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide

View entire compound with spectra: 2 NMR

2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
SpectraBase Compound ID EgaUSKV5HuA
InChI InChI=1S/C19H20N4OS/c1-3-23-18(15-9-5-4-6-10-15)21-22-19(23)25-13-17(24)20-16-11-7-8-14(2)12-16/h4-12H,3,13H2,1-2H3,(H,20,24)
InChIKey JIBOFGBUFWLYPZ-UHFFFAOYSA-N
Mol Weight 352.46 g/mol
Molecular Formula C19H20N4OS
Exact Mass 352.135782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cm9sOTkOp2S
Name 2-[(4-Ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 352.135782453 u
Formula C19H20N4OS
InChI InChI=1S/C19H20N4OS/c1-3-23-18(15-9-5-4-6-10-15)21-22-19(23)25-13-17(24)20-16-11-7-8-14(2)12-16/h4-12H,3,13H2,1-2H3,(H,20,24)
InChIKey JIBOFGBUFWLYPZ-UHFFFAOYSA-N
Molecular Weight 352.456 g/mol
SMILES N(C(CSC=1N(C(=NN1)C1=CC=CC=C1)CC)=O)C=1C=C(C)C=CC1