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3-Acetyl-5-(4-chlorophenyl)-1-phenyl-4-thioxo-4,5-dihydro-1H-1,2,5-triazepin-6,7-dione
SpectraBase Compound ID GTQdcjGD2CK
InChI InChI=1S/C18H12ClN3O3S/c1-11(23)15-18(26)21(13-9-7-12(19)8-10-13)16(24)17(25)22(20-15)14-5-3-2-4-6-14/h2-10H,1H3
InChIKey JXTHUGVFXHFERC-UHFFFAOYSA-N
Mol Weight 385.83 g/mol
Molecular Formula C18H12ClN3O3S
Exact Mass 385.02879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AsGlNhLUrFo
Name 3-Acetyl-5-(4-chlorophenyl)-1-phenyl-4-thioxo-4,5-dihydro-1H-1,2,5-triazepin-6,7-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12ClN3O3S
InChI InChI=1S/C18H12ClN3O3S/c1-11(23)15-18(26)21(13-9-7-12(19)8-10-13)16(24)17(25)22(20-15)14-5-3-2-4-6-14/h2-10H,1H3
InChIKey JXTHUGVFXHFERC-UHFFFAOYSA-N
Molecular Weight 385.825 g/mol
SMILES C1(=NN(C(C(N(C1=S)c1ccc(cc1)Cl)=O)=O)c1ccccc1)C(=O)C
SPLASH splash10-004i-8109000000-bd458a870c419a566c6f
Source of Spectrum C5-2003-2562-8
Synonyms 3-Acetyl-5-(4-chlorophenyl)-1-phenyl-4-thioxo-4,5-dihydro-1H-1,2,5-triazepine-6,7-dione
Wiley ID 1616197