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N'-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)-4-pyridinecarbohydrazide
SpectraBase Compound ID 6DOUS75CWbQ
InChI InChI=1S/C21H18N4OS/c26-21(16-10-12-22-13-11-16)25-24-20-14-19(15-6-2-1-3-7-15)27-18-9-5-4-8-17(18)23-20/h1-13,19H,14H2,(H,23,24)(H,25,26)
InChIKey AKVNXDVDKSJOPN-UHFFFAOYSA-N
Mol Weight 374.46 g/mol
Molecular Formula C21H18N4OS
Exact Mass 374.120132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jk1QhYGYLVc
Name N'-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)-4-pyridinecarbohydrazide
CAS Registry Number 118971-12-3
Comments Less than 3 mono-isotopic peaks
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Formula C21H18N4OS
InChI InChI=1S/C21H18N4OS/c26-21(16-10-12-22-13-11-16)25-24-20-14-19(15-6-2-1-3-7-15)27-18-9-5-4-8-17(18)23-20/h1-13,19H,14H2,(H,23,24)(H,25,26)
InChIKey AKVNXDVDKSJOPN-UHFFFAOYSA-N
Molecular Weight 374.462 g/mol
SMILES N(NC(=O)c1ccncc1)C1=Nc2c(SC(C1)c1ccccc1)cccc2
SPLASH splash10-0a4i-0901000000-700c11564145559f5e77
Source of Spectrum Y-25-1152-5
Synonyms N'-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)isonicotinohydrazide N'-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)pyridine-4-carbohydrazide
Wiley ID 1356626