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4-(4-Chloro-phenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
SpectraBase Compound ID 94BzBjBa6mP
InChI InChI=1S/C24H18ClN3OS/c25-18-13-11-17(12-14-18)23-21-22(16-7-3-1-4-8-16)27-28(19-9-5-2-6-10-19)24(21)26-20(29)15-30-23/h1-14,23H,15H2,(H,26,29)
InChIKey GKJGBCNKCCPKHC-UHFFFAOYSA-N
Mol Weight 431.94 g/mol
Molecular Formula C24H18ClN3OS
Exact Mass 431.085911 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XcY2GVoNrn
Name 4-(4-Chloro-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 C24H18ClN3OS
InChI InChI=1S/C24H18ClN3OS/c25-18-13-11-17(12-14-18)23-21-22(16-7-3-1-4-8-16)27-28(19-9-5-2-6-10-19)24(21)26-20(29)15-30-23/h1-14,23H,15H2,(H,26,29)
InChIKey GKJGBCNKCCPKHC-UHFFFAOYSA-N
Molecular Weight 431.941 g/mol
SMILES N1C(CSC(c2c1[n](nc2-c1ccccc1)-c1ccccc1)c1ccc(cc1)Cl)=O
SPLASH splash10-00dm-9313100000-6f58cf864816393913d8
Synonyms 4-(4-Chlorophenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Wiley ID 1442654