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4-(4-Nitro-phenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
SpectraBase Compound ID ENpuD6noW0D
InChI InChI=1S/C24H18N4O3S/c29-20-15-32-23(17-11-13-19(14-12-17)28(30)31)21-22(16-7-3-1-4-8-16)26-27(24(21)25-20)18-9-5-2-6-10-18/h1-14,23H,15H2,(H,25,29)
InChIKey DNXIKAOEJJCKGN-UHFFFAOYSA-N
Mol Weight 442.49 g/mol
Molecular Formula C24H18N4O3S
Exact Mass 442.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrD3mpMuazX
Name 4-(4-Nitro-phenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
Alternate Name(s) 4-(4-Nitrophenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18N4O3S
InChI InChI=1S/C24H18N4O3S/c29-20-15-32-23(17-11-13-19(14-12-17)28(30)31)21-22(16-7-3-1-4-8-16)26-27(24(21)25-20)18-9-5-2-6-10-18/h1-14,23H,15H2,(H,25,29)
InChIKey DNXIKAOEJJCKGN-UHFFFAOYSA-N
Molecular Weight 442.493 g/mol
SMILES N1C(CSC(c2c1[n](nc2-c1ccccc1)-c1ccccc1)c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-002g-9411000000-75be32a5050a285db98d
Wiley ID 1464424