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4-(4-Dimethylamino-phenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
SpectraBase Compound ID 64klbMvILjm
InChI InChI=1S/C26H24N4OS/c1-29(2)20-15-13-19(14-16-20)25-23-24(18-9-5-3-6-10-18)28-30(21-11-7-4-8-12-21)26(23)27-22(31)17-32-25/h3-16,25H,17H2,1-2H3,(H,27,31)
InChIKey JAHWLYSLJAKCHE-UHFFFAOYSA-N
Mol Weight 440.57 g/mol
Molecular Formula C26H24N4OS
Exact Mass 440.167083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 883CIRrE3Aq
Name 4-(4-Dimethylamino-phenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24N4OS
InChI InChI=1S/C26H24N4OS/c1-29(2)20-15-13-19(14-16-20)25-23-24(18-9-5-3-6-10-18)28-30(21-11-7-4-8-12-21)26(23)27-22(31)17-32-25/h3-16,25H,17H2,1-2H3,(H,27,31)
InChIKey JAHWLYSLJAKCHE-UHFFFAOYSA-N
Molecular Weight 440.565 g/mol
SMILES N1C(CSC(c2c1[n](nc2-c1ccccc1)-c1ccccc1)c1ccc(cc1)N(C)C)=O
SPLASH splash10-0006-4948200000-c93069a2cb7f73e2d65e
Synonyms 4-[4-(dimethylamino)phenyl]-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Wiley ID 1442222