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2-({5-[(4-ethoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID 27hwjn84sk1
InChI InChI=1S/C19H21N5O2S/c1-2-26-16-10-8-14(9-11-16)21-12-18-22-23-19(27-13-17(20)25)24(18)15-6-4-3-5-7-15/h3-11,21H,2,12-13H2,1H3,(H2,20,25)
InChIKey WAQKXFSHZQRWFH-UHFFFAOYSA-N
Mol Weight 383.47 g/mol
Molecular Formula C19H21N5O2S
Exact Mass 383.141596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EavH4JgytUk
Name 2-({5-[(4-Ethoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 383.141596108 u
Formula C19H21N5O2S
InChI InChI=1S/C19H21N5O2S/c1-2-26-16-10-8-14(9-11-16)21-12-18-22-23-19(27-13-17(20)25)24(18)15-6-4-3-5-7-15/h3-11,21H,2,12-13H2,1H3,(H2,20,25)
InChIKey WAQKXFSHZQRWFH-UHFFFAOYSA-N
Molecular Weight 383.470 g/mol
SMILES N(CC=1N(C(SCC(=O)N)=NN1)C=1C=CC=CC1)C1=CC=C(OCC)C=C1