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3-AMINO-4-[BIS-[(1'H-BENZO-[D]-IMIDAZOL-2'-YL)-METHYLTHIO]-METHYLENE]-1H-PYRAZOL-5(4H)-ONE
SpectraBase Compound ID 1qPbIwQuJfh
InChI InChI=1S/C20H17N7OS2/c21-18-17(19(28)27-26-18)20(29-9-15-22-11-5-1-2-6-12(11)23-15)30-10-16-24-13-7-3-4-8-14(13)25-16/h1-8H,9-10H2,(H2,21,26)(H,22,23)(H,24,25)(H,27,28)
InChIKey GQHAEGSHDVIJDC-UHFFFAOYSA-N
Mol Weight 435.52 g/mol
Molecular Formula C20H17N7OS2
Exact Mass 435.093601 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ED8Sp1cD0an
Name 3-AMINO-4-[BIS-[(1'H-BENZO-[D]-IMIDAZOL-2'-YL)-METHYLTHIO]-METHYLENE]-1H-PYRAZOL-5(4H)-ONE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17N7OS2
InChI InChI=1S/C20H17N7OS2/c21-18-17(19(28)27-26-18)20(29-9-15-22-11-5-1-2-6-12(11)23-15)30-10-16-24-13-7-3-4-8-14(13)25-16/h1-8H,9-10H2,(H2,21,26)(H,22,23)(H,24,25)(H,27,28)
InChIKey GQHAEGSHDVIJDC-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,B.C.VENKATESH,A.MURALIKRISHNA,A.PADMAJA
Literature Reference Citation CHEM.PHARM.BULL.,60,449(2012)
Literature Reference DOI 10.1248/cpb.60.449
Molecular Weight 435.521 g/mol
Source File Reference UWBT4710