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4,5-Diphenyl-3-thioxo-3,4-dihydro-2H-(1,2,4-triazepine-7-yl)phenyl methanone
SpectraBase Compound ID HmSlnomEnss
InChI InChI=1S/C23H17N3OS/c27-22(18-12-6-2-7-13-18)20-16-21(17-10-4-1-5-11-17)26(23(28)25-24-20)19-14-8-3-9-15-19/h1-16H,(H,25,28)
InChIKey MVHRSZYHQIAIQW-UHFFFAOYSA-N
Mol Weight 383.47 g/mol
Molecular Formula C23H17N3OS
Exact Mass 383.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7jl86PwEEq
Name 4,5-Diphenyl-3-thioxo-3,4-dihydro-2H-(1,2,4-triazepine-7-yl)phenyl methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17N3OS
InChI InChI=1S/C23H17N3OS/c27-22(18-12-6-2-7-13-18)20-16-21(17-10-4-1-5-11-17)26(23(28)25-24-20)19-14-8-3-9-15-19/h1-16H,(H,25,28)
InChIKey MVHRSZYHQIAIQW-UHFFFAOYSA-N
Molecular Weight 383.469 g/mol
SMILES N1N=C(C=C(N(C1=S)c1ccccc1)c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0a7i-5925000000-ef6ba75bf89902b3658e
Source of Spectrum Y-45-526-9a
Synonyms (4,5-diphenyl-3-sulfanylidene-2H-1,2,4-triazepin-7-yl)-phenylmethanone (4,5-diphenyl-3-sulfanylidene-2H-1,2,4-triazepin-7-yl)-phenyl-methanone
Wiley ID 1666312