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N-(2,6-dimethylphenyl)-2-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)thio]propanamide
SpectraBase Compound ID 7ExLaR7oi6G
InChI InChI=1S/C18H19N5OS/c1-11-5-4-6-12(2)15(11)20-17(24)13(3)25-18-21-16(22-23-18)14-7-9-19-10-8-14/h4-10,13H,1-3H3,(H,20,24)(H,21,22,23)
InChIKey NZCVXIXDDNWONL-UHFFFAOYSA-N
Mol Weight 353.44 g/mol
Molecular Formula C18H19N5OS
Exact Mass 353.131031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eQk5wtFoHK
Name N-(2,6-dimethylphenyl)-2-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)thio]propanamide
Alternate Name(s) Propanamide, N-(2,6-dimethylphenyl)-2-[[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]thio]- N-(2,6-dimethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide N-(2,6-dimethylphenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide N-(2,6-dimethylphenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
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Formula C18H19N5OS
InChI InChI=1S/C18H19N5OS/c1-11-5-4-6-12(2)15(11)20-17(24)13(3)25-18-21-16(22-23-18)14-7-9-19-10-8-14/h4-10,13H,1-3H3,(H,20,24)(H,21,22,23)
InChIKey NZCVXIXDDNWONL-UHFFFAOYSA-N
Molecular Weight 353.444 g/mol
SMILES N(C(C(Sc1nc(n[nH]1)-c1ccncc1)C)=O)c1c(cccc1C)C
SPLASH splash10-05fr-2920000000-1ef762bfda80e3897fc8
Source of Spectrum IY-1-4277-4
Wiley ID 1650766