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1H-1,2,4-Triazole-1-acetamide, 4-(4-bromophenyl)-3-[(4-bromophenyl)amino]-4,5-dihydro-N-phenyl-5-thioxo-
SpectraBase Compound ID Lv9BEfhy4ih
InChI InChI=1S/C22H17Br2N5OS/c23-15-6-10-18(11-7-15)26-21-27-28(14-20(30)25-17-4-2-1-3-5-17)22(31)29(21)19-12-8-16(24)9-13-19/h1-13H,14H2,(H,25,30)(H,26,27)
InChIKey MESWBEAKKHEAPF-UHFFFAOYSA-N
Mol Weight 559.28 g/mol
Molecular Formula C22H17Br2N5OS
Exact Mass 556.952057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4ntqzd06qt
Name 1H-1,2,4-Triazole-1-acetamide, 4-(4-bromophenyl)-3-[(4-bromophenyl)amino]-4,5-dihydro-N-phenyl-5-thioxo-
CAS Registry Number 130179-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17Br2N5OS
InChI InChI=1S/C22H17Br2N5OS/c23-15-6-10-18(11-7-15)26-21-27-28(14-20(30)25-17-4-2-1-3-5-17)22(31)29(21)19-12-8-16(24)9-13-19/h1-13H,14H2,(H,25,30)(H,26,27)
InChIKey MESWBEAKKHEAPF-UHFFFAOYSA-N
Molecular Weight 559.280 g/mol
SMILES N(C(CN1C(N(C(=N1)Nc1ccc(cc1)Br)c1ccc(cc1)Br)=S)=O)c1ccccc1
SPLASH splash10-0002-2910000000-dc7a1f1bc5353ca19612
Source of Spectrum F-46-4366-7
Synonyms 2-[3-(4-bromoanilino)-4-(4-bromophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-phenylacetamide 4-(4-Bromophenyl)-3-(4-bromophenylamino)
Wiley ID 1406471