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2-[(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide

View entire compound with spectra: 2 NMR

2-[(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
SpectraBase Compound ID F6fPJYVhagM
InChI InChI=1S/C12H13Cl2N5OS/c1-2-9-17-18-12(19(9)15)21-6-10(20)16-11-7(13)4-3-5-8(11)14/h3-5H,2,6,15H2,1H3,(H,16,20)
InChIKey JCWFYUKLMWGLCA-UHFFFAOYSA-N
Mol Weight 346.24 g/mol
Molecular Formula C12H13Cl2N5OS
Exact Mass 345.021787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADGhSW0Y1fF
Name 2-[(4-Amino-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 345.021786632 u
Formula C12H13Cl2N5OS
InChI InChI=1S/C12H13Cl2N5OS/c1-2-9-17-18-12(19(9)15)21-6-10(20)16-11-7(13)4-3-5-8(11)14/h3-5H,2,6,15H2,1H3,(H,16,20)
InChIKey JCWFYUKLMWGLCA-UHFFFAOYSA-N
Molecular Weight 346.236 g/mol
SMILES NN1C(SCC(NC2=C(Cl)C=CC=C2Cl)=O)=NN=C1CC