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2-(2-Imino-5-{2-[(4-methylphenyl)sulfonyl]ethyl}-1,3,4-thiadiazol-3(2H)-yl)-1-phenylethanone
SpectraBase Compound ID 5NCZ6zGp1wQ
InChI InChI=1S/C19H19N3O3S2/c1-14-7-9-16(10-8-14)27(24,25)12-11-18-21-22(19(20)26-18)13-17(23)15-5-3-2-4-6-15/h2-10,20H,11-13H2,1H3
InChIKey DFNMNBJOKLMMGF-UHFFFAOYSA-N
Mol Weight 401.5 g/mol
Molecular Formula C19H19N3O3S2
Exact Mass 401.086784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DF0Imoov9xB
Name 2-(2-Imino-5-{2-[(4-methylphenyl)sulfonyl]ethyl}-1,3,4-thiadiazol-3(2H)-yl)-1-phenylethanone
Alternate Name(s) 2-[2-imino-5-[2-(toluene-4-sulfonyl)-ethyl]-[1,3,4]thiadiazol-3-yl]-1-phenyl-ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19N3O3S2
InChI InChI=1S/C19H19N3O3S2/c1-14-7-9-16(10-8-14)27(24,25)12-11-18-21-22(19(20)26-18)13-17(23)15-5-3-2-4-6-15/h2-10,20H,11-13H2,1H3
InChIKey DFNMNBJOKLMMGF-UHFFFAOYSA-N
Molecular Weight 401.499 g/mol
SMILES N=C1N(N=C(S1)CCS(=O)(c1ccc(cc1)C)=O)CC(=O)c1ccccc1
SPLASH splash10-053r-9400000000-df4bf0012d9296163c03
Wiley ID 1438544