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

View entire compound with spectra: 1 NMR

2-(PARA-METHYL-PHENYLAMINOSULFONYLMETHYL)-5-(4'-PARA-METHYL-PHENYL-4',5'-DIHYDRO-1'H-PYRAZOL-3'-YL-SULFONYL-METHYL)-1,3,4-THIADIAZOLE
SpectraBase Compound ID AB5Rgdm72NI
InChI InChI=1S/C21H23N5O4S3/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/h3-10,18,22,26H,11-13H2,1-2H3/t18-/m0/s1
InChIKey QTFAEQDTPCCMKZ-SFHVURJKSA-N
Mol Weight 505.63 g/mol
Molecular Formula C21H23N5O4S3
Exact Mass 505.091218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8RAxhs7ZCbj
Name 2-(PARA-METHYL-PHENYLAMINOSULFONYLMETHYL)-5-(4'-PARA-METHYL-PHENYL-4',5'-DIHYDRO-1'H-PYRAZOL-3'-YL-SULFONYL-METHYL)-1,3,4-THIADIAZOLE
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23N5O4S3
InChI InChI=1S/C21H23N5O4S3/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/h3-10,18,22,26H,11-13H2,1-2H3/t18-/m0/s1
InChIKey QTFAEQDTPCCMKZ-SFHVURJKSA-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 505.625 g/mol
Source File Reference UWIR3764