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N-(4-ethylphenyl)-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SpectraBase Compound ID 5UW5x1KxyCT
InChI InChI=1S/C18H17N5O3S/c1-2-12-6-8-14(9-7-12)19-16(24)11-27-18-20-17(21-22-18)13-4-3-5-15(10-13)23(25)26/h3-10H,2,11H2,1H3,(H,19,24)(H,20,21,22)
InChIKey OVTAQUPJXSPASD-UHFFFAOYSA-N
Mol Weight 383.43 g/mol
Molecular Formula C18H17N5O3S
Exact Mass 383.105211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mChlvXKka
Name N-(4-ethylphenyl)-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
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Formula C18H17N5O3S
InChI InChI=1S/C18H17N5O3S/c1-2-12-6-8-14(9-7-12)19-16(24)11-27-18-20-17(21-22-18)13-4-3-5-15(10-13)23(25)26/h3-10H,2,11H2,1H3,(H,19,24)(H,20,21,22)
InChIKey OVTAQUPJXSPASD-UHFFFAOYSA-N
Molecular Weight 383.426 g/mol
SMILES N(C(CSc1nc(n[nH]1)-c1cc(N(=O)=O)ccc1)=O)c1ccc(cc1)CC
SPLASH splash10-05fr-3920000000-c4fb9c716108ea106a6c
Synonyms N-(4-ethylphenyl)-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide N-(4-ethylphenyl)-2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide N-(4-ethylphenyl)-2-{[3-(3-nitrophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetamide
Wiley ID 1452612