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1-Acetyl-3-(4'-chlorophenyl)-6-[4'-phenyl-2'-(acetylamino)thiazol-5'-yl]-1,6-dihydro-1,2,4-triazin-5(2H)-one
SpectraBase Compound ID ATHTI4Y0v5
InChI InChI=1S/C22H18ClN5O3S/c1-13(29)25-22-24-12-18(32-22)19-21(31)27(17-6-4-3-5-7-17)20(26-28(19)14(2)30)15-8-10-16(23)11-9-15/h3-12,19H,1-2H3,(H,24,25,29)
InChIKey KHSFCBZEODLFSN-UHFFFAOYSA-N
Mol Weight 467.93 g/mol
Molecular Formula C22H18ClN5O3S
Exact Mass 467.081888 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Yci3moJcKh
Name 1-Acetyl-3-(4'-chlorophenyl)-6-[4'-phenyl-2'-(acetylamino)thiazol-5'-yl]-1,6-dihydro-1,2,4-triazin-5(2H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18ClN5O3S
InChI InChI=1S/C22H18ClN5O3S/c1-13(29)25-22-24-12-18(32-22)19-21(31)27(17-6-4-3-5-7-17)20(26-28(19)14(2)30)15-8-10-16(23)11-9-15/h3-12,19H,1-2H3,(H,24,25,29)
InChIKey KHSFCBZEODLFSN-UHFFFAOYSA-N
Molecular Weight 467.931 g/mol
SMILES N(c1sc(C2N(N=C(N(c3ccccc3)C2=O)c2ccc(cc2)Cl)C(=O)C)cn1)C(=O)C
SPLASH splash10-00e9-0003900000-8d4962abaae72c0e1af2
Source of Spectrum Y-34-1018-6
Synonyms N-{5-[1-acetyl-3-(4-chlorophenyl)-5-oxo-4-phenyl-1,4,5,6-tetrahydro-1,2,4-triazin-6-yl]-1,3-thiazol-2-yl}acetamide
Wiley ID 1392144