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4-(2,4-Dichloro-phenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-one
SpectraBase Compound ID Ec997PWVWQ4
InChI InChI=1S/C24H17Cl2N3OS/c25-16-11-12-18(19(26)13-16)23-21-22(15-7-3-1-4-8-15)28-29(17-9-5-2-6-10-17)24(21)27-20(30)14-31-23/h1-13,23H,14H2,(H,27,30)
InChIKey VDRSFSZUBOAWGA-UHFFFAOYSA-N
Mol Weight 466.39 g/mol
Molecular Formula C24H17Cl2N3OS
Exact Mass 465.046939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KfkLaFijbN
Name 4-(2,4-Dichloro-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 C24H17Cl2N3OS
InChI InChI=1S/C24H17Cl2N3OS/c25-16-11-12-18(19(26)13-16)23-21-22(15-7-3-1-4-8-15)28-29(17-9-5-2-6-10-17)24(21)27-20(30)14-31-23/h1-13,23H,14H2,(H,27,30)
InChIKey VDRSFSZUBOAWGA-UHFFFAOYSA-N
Molecular Weight 466.386 g/mol
SMILES N1C(CSC(c2c1[n](nc2-c1ccccc1)-c1ccccc1)c1c(cc(cc1)Cl)Cl)=O
SPLASH splash10-00di-8859200000-fbc7e53a8ac0fa2d05d4
Synonyms 4-(2,4-Dichlorophenyl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Wiley ID 1442985