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4-AMINO-3-(PARA-METHYL-PHENYLAMINOSULFONYLMETHYL)-5-(4'-PARA-METHYL-PHENYL-1'H-PYRAZOL-3'-YL-SULFONYL-METHYL)-1,2,4-TRIAZOLE

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4-AMINO-3-(PARA-METHYL-PHENYLAMINOSULFONYLMETHYL)-5-(4'-PARA-METHYL-PHENYL-1'H-PYRAZOL-3'-YL-SULFONYL-METHYL)-1,2,4-TRIAZOLE
SpectraBase Compound ID BDQPlZYrgCo
InChI InChI=1S/C21H23N7O4S2/c1-14-3-7-16(8-4-14)18-11-23-26-21(18)33(29,30)12-19-24-25-20(28(19)22)13-34(31,32)27-17-9-5-15(2)6-10-17/h3-11,27H,12-13,22H2,1-2H3,(H,23,26)
InChIKey WZHCEZUKNBZZPZ-UHFFFAOYSA-N
Mol Weight 501.58 g/mol
Molecular Formula C21H23N7O4S2
Exact Mass 501.125295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDhXn3WSHW
Name 4-AMINO-3-(PARA-METHYL-PHENYLAMINOSULFONYLMETHYL)-5-(4'-PARA-METHYL-PHENYL-1'H-PYRAZOL-3'-YL-SULFONYL-METHYL)-1,2,4-TRIAZOLE
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23N7O4S2
InChI InChI=1S/C21H23N7O4S2/c1-14-3-7-16(8-4-14)18-11-23-26-21(18)33(29,30)12-19-24-25-20(28(19)22)13-34(31,32)27-17-9-5-15(2)6-10-17/h3-11,27H,12-13,22H2,1-2H3,(H,23,26)
InChIKey WZHCEZUKNBZZPZ-UHFFFAOYSA-N
Literature Reference Author A.PADMAJA,A.MURALIKRISHNA,C.RAJASEKHAR,V.PADMAVATHI
Literature Reference Citation CHEM.PHARM.BULL.,59,1509(2011)
Literature Reference DOI 10.1248/cpb.59.1509
Molecular Weight 501.578 g/mol
Source File Reference UWIR3776