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5-(5''-(4-CHLOROPHENYL)-[1'',3'',4'']-OXADIAZOL-2''-YLMETHYLSULFANYL)-3-(1'-METHYL-1',2',5',6'-TETRAHYDROPYRIDIN-3'-YL)-[1,2,4]-TRIAZOL-4-YL-AMINE

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5-(5''-(4-CHLOROPHENYL)-[1'',3'',4'']-OXADIAZOL-2''-YLMETHYLSULFANYL)-3-(1'-METHYL-1',2',5',6'-TETRAHYDROPYRIDIN-3'-YL)-[1,2,4]-TRIAZOL-4-YL-AMINE
SpectraBase Compound ID GMmb5ws7YtA
InChI InChI=1S/C17H18ClN7OS/c1-24-8-2-3-12(9-24)15-21-23-17(25(15)19)27-10-14-20-22-16(26-14)11-4-6-13(18)7-5-11/h3-7H,2,8-10,19H2,1H3
InChIKey PXHRBHPXAKJRIH-UHFFFAOYSA-N
Mol Weight 403.89 g/mol
Molecular Formula C17H18ClN7OS
Exact Mass 403.098207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gy3eUgHctMn
Name 5-(5''-(4-CHLOROPHENYL)-[1'',3'',4'']-OXADIAZOL-2''-YLMETHYLSULFANYL)-3-(1'-METHYL-1',2',5',6'-TETRAHYDROPYRIDIN-3'-YL)-[1,2,4]-TRIAZOL-4-YL-AMINE
Compound Number 3I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18ClN7OS
InChI InChI=1S/C17H18ClN7OS/c1-24-8-2-3-12(9-24)15-21-23-17(25(15)19)27-10-14-20-22-16(26-14)11-4-6-13(18)7-5-11/h3-7H,2,8-10,19H2,1H3
InChIKey PXHRBHPXAKJRIH-UHFFFAOYSA-N
Literature Reference Author G.Q.HU,S.LI,W.L.HUANG,H.WANG
Literature Reference Citation CHIN.CHEM.LETT.,17,19(2006)
Molecular Weight 403.889 g/mol
Sample ID 35908
Solvent DMSO-D6