John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=10xZBt2uDYw SpectraBase Spectrum ID=2Aqnjvd21xm

(accessed ).
4'-AMINO-5'-[3-(4-CHLORO-BENZOYL)-4,5-DIHYDRO-1H-PYRAZOLE-4-SULFONYL-METHYL]-[1',2',4']-TRIAZOLE-3'-THIOL
SpectraBase Compound ID 10xZBt2uDYw
InChI InChI=1S/C13H13ClN6O3S2/c14-8-3-1-7(2-4-8)12(21)11-9(5-16-18-11)25(22,23)6-10-17-19-13(24)20(10)15/h1-4,9,16H,5-6,15H2,(H,19,24)
InChIKey CENVTPMOBJJYMJ-UHFFFAOYSA-N
Mol Weight 400.86 g/mol
Molecular Formula C13H13ClN6O3S2
Exact Mass 400.01791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Aqnjvd21xm
Name 4'-AMINO-5'-[3-(4-CHLORO-BENZOYL)-4,5-DIHYDRO-1H-PYRAZOLE-4-SULFONYL-METHYL]-[1',2',4']-TRIAZOLE-3'-THIOL
Compound Number 12C
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13ClN6O3S2
InChI InChI=1S/C13H13ClN6O3S2/c14-8-3-1-7(2-4-8)12(21)11-9(5-16-18-11)25(22,23)6-10-17-19-13(24)20(10)15/h1-4,9,16H,5-6,15H2,(H,19,24)
InChIKey CENVTPMOBJJYMJ-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,A.V.N.MOHAN,K.MAHESH,A.PADMAJA
Literature Reference Citation CHEM.PHARM.BULL.,56,815(2008)
Literature Reference DOI 10.1248/cpb.56.815
Molecular Weight 400.858 g/mol
Sample ID 1795
Solvent DMSO-D6
SpectraBase Batch ID 6qLWi6XPCJu