John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5UdZdKxP2pq SpectraBase Spectrum ID=2aBOaHrtc6

(accessed ).
2-(PARA-METHYL-PHENYLAMINOSULFONYLMETHYL)-5-(4'-PARA-METHYL-PHENYL-1'H-PYRAZOL-3'-YL-SULFONYL-METHYL)-1,3,4-THIADIAZOLE
SpectraBase Compound ID 5UdZdKxP2pq
InChI InChI=1S/C21H21N5O4S3/c1-14-3-7-16(8-4-14)18-11-22-25-21(18)32(27,28)12-19-23-24-20(31-19)13-33(29,30)26-17-9-5-15(2)6-10-17/h3-11,26H,12-13H2,1-2H3,(H,22,25)
InChIKey AIYOFNJHQQXRCH-UHFFFAOYSA-N
Mol Weight 503.61 g/mol
Molecular Formula C21H21N5O4S3
Exact Mass 503.07557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aBOaHrtc6
Name 2-(PARA-METHYL-PHENYLAMINOSULFONYLMETHYL)-5-(4'-PARA-METHYL-PHENYL-1'H-PYRAZOL-3'-YL-SULFONYL-METHYL)-1,3,4-THIADIAZOLE
Compound Number 13B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21N5O4S3
InChI InChI=1S/C21H21N5O4S3/c1-14-3-7-16(8-4-14)18-11-22-25-21(18)32(27,28)12-19-23-24-20(31-19)13-33(29,30)26-17-9-5-15(2)6-10-17/h3-11,26H,12-13H2,1-2H3,(H,22,25)
InChIKey AIYOFNJHQQXRCH-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 503.609 g/mol
Source File Reference UWIR3773
SpectraBase Batch ID 7O8P6Z5OpR4