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4-Benzyl-5-phenyl-3-thioxo-3,4-dihydro-2H-(1,2,4-triazepine-7-yl)phenyl methanone
SpectraBase Compound ID IV4BEOY9NLy
InChI InChI=1S/C24H19N3OS/c28-23(20-14-8-3-9-15-20)21-16-22(19-12-6-2-7-13-19)27(24(29)26-25-21)17-18-10-4-1-5-11-18/h1-16H,17H2,(H,26,29)
InChIKey VLCDKXSWQGCBMH-UHFFFAOYSA-N
Mol Weight 397.5 g/mol
Molecular Formula C24H19N3OS
Exact Mass 397.124883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 741v49xKjPb
Name 4-Benzyl-5-phenyl-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 C24H19N3OS
InChI InChI=1S/C24H19N3OS/c28-23(20-14-8-3-9-15-20)21-16-22(19-12-6-2-7-13-19)27(24(29)26-25-21)17-18-10-4-1-5-11-18/h1-16H,17H2,(H,26,29)
InChIKey VLCDKXSWQGCBMH-UHFFFAOYSA-N
Molecular Weight 397.496 g/mol
SMILES N1C(N(C(=CC(=N1)C(=O)c1ccccc1)c1ccccc1)Cc1ccccc1)=S
SPLASH splash10-0006-9147000000-09def8b362538c8207ea
Source of Spectrum Y-45-526-9b
Synonyms (4-benzyl-5-phenyl-3-sulfanylidene-2H-1,2,4-triazepin-7-yl)-phenylmethanone phenyl-[5-phenyl-4-(phenylmethyl)-3-sulfanylidene-2H-1,2,4-triazepin-7-yl]methanone
Wiley ID 1666311