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1H-dibenzo[b,e][1,4]diazepin-1-one, 2,3,4,5,10,11-hexahydro-11-[4-(methylthio)phenyl]-3-(2-thienyl)-
SpectraBase Compound ID 6CHtVGbPAaA
InChI InChI=1S/C24H22N2OS2/c1-28-17-10-8-15(9-11-17)24-23-20(25-18-5-2-3-6-19(18)26-24)13-16(14-21(23)27)22-7-4-12-29-22/h2-12,16,24-26H,13-14H2,1H3
InChIKey BZJSVJDFBWBYBZ-UHFFFAOYSA-N
Mol Weight 418.57 g/mol
Molecular Formula C24H22N2OS2
Exact Mass 418.117356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dbx9rMokI1M
Name 6-(4-Methylsulfanylphenyl)-9-(2-thienyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N2OS2
InChI InChI=1S/C24H22N2OS2/c1-28-17-10-8-15(9-11-17)24-23-20(25-18-5-2-3-6-19(18)26-24)13-16(14-21(23)27)22-7-4-12-29-22/h2-12,16,24-26H,13-14H2,1H3
InChIKey BZJSVJDFBWBYBZ-UHFFFAOYSA-N
Molecular Weight 418.573 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1sccc1)c1ccc(cc1)SC
SPLASH splash10-0005-9450000000-a78d0b25bc4b5c7094aa
Synonyms 6-(4-Methylsulfanylphenyl)-9-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 6-[4-(methylthio)phenyl]-9-(2-thienyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 6-[4-(methylthio)phenyl]-9-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1453511