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2-Anilino-4-(methylthio)-3-phenyl-1,3,5-triazepine-6,7-dione
SpectraBase Compound ID 1J6BjB00lbp
InChI InChI=1S/C17H14N4O2S/c1-24-17-20-15(23)14(22)19-16(18-12-8-4-2-5-9-12)21(17)13-10-6-3-7-11-13/h2-11H,1H3,(H,18,19,22)
InChIKey ZBCDEGPTPJCXSI-UHFFFAOYSA-N
Mol Weight 338.39 g/mol
Molecular Formula C17H14N4O2S
Exact Mass 338.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4H0RaU5UMy
Name 2-Anilino-4-(methylthio)-3-phenyl-1,3,5-triazepine-6,7-dione
CAS Registry Number 68822-95-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N4O2S
InChI InChI=1S/C17H14N4O2S/c1-24-17-20-15(23)14(22)19-16(18-12-8-4-2-5-9-12)21(17)13-10-6-3-7-11-13/h2-11H,1H3,(H,18,19,22)
InChIKey ZBCDEGPTPJCXSI-UHFFFAOYSA-N
Molecular Weight 338.385 g/mol
SMILES N(C1=NC(=O)C(N=C(N1c1ccccc1)SC)=O)c1ccccc1
SPLASH splash10-0005-9650000000-891235c5b49b18fb97ae
Source of Spectrum HE-1982-0-0
Synonyms 2-Anilino-4-(methylthio)-3-phenyl-1,3,5-triazepine-6,7-quinone 2-Anilino-4-methylsulfanyl-3-phenyl-1,3,5-triazepine-6,7-dione 2-Methylsulfanyl-3-phenyl-4-phenylazanyl-1,3,5-triazepine-6,7-dione
Wiley ID 1333553