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1H-1,2,4-Triazole-1-acetamide, 4-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-4,5-dihydro-N-phenyl-5-thioxo-
SpectraBase Compound ID FR9QqZxwGOA
InChI InChI=1S/C22H17Cl2N5OS/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 LHKBXVYPPCTQRX-UHFFFAOYSA-N
Mol Weight 470.38 g/mol
Molecular Formula C22H17Cl2N5OS
Exact Mass 469.053087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClleoQMu35x
Name 1H-1,2,4-Triazole-1-acetamide, 4-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-4,5-dihydro-N-phenyl-5-thioxo-
CAS Registry Number 130179-58-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17Cl2N5OS
InChI InChI=1S/C22H17Cl2N5OS/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 LHKBXVYPPCTQRX-UHFFFAOYSA-N
Molecular Weight 470.378 g/mol
SMILES N(C(CN1C(N(C(=N1)Nc1ccc(cc1)Cl)c1ccc(cc1)Cl)=S)=O)c1ccccc1
SPLASH splash10-0udl-4901000000-b492a9502cf5dea6e775
Source of Spectrum F-46-4366-7
Synonyms 2-[3-(4-chloroanilino)-4-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-phenylacetamide 4-(4-Chlorophenyl)-3-(4-chlorophenylamino)
Wiley ID 1392605