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4-Allyl-5-phenyl-3-thioxo-3,4-dihydro-2H-(1,2,4-triazepine-7-yl)phenyl methanone
SpectraBase Compound ID 8qsX17RbEUL
InChI InChI=1S/C20H17N3OS/c1-2-13-23-18(15-9-5-3-6-10-15)14-17(21-22-20(23)25)19(24)16-11-7-4-8-12-16/h2-12,14H,1,13H2,(H,22,25)
InChIKey OYRHXIWMHQSWJW-UHFFFAOYSA-N
Mol Weight 347.44 g/mol
Molecular Formula C20H17N3OS
Exact Mass 347.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZjkcYBtmHq
Name 4-Allyl-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 C20H17N3OS
InChI InChI=1S/C20H17N3OS/c1-2-13-23-18(15-9-5-3-6-10-15)14-17(21-22-20(23)25)19(24)16-11-7-4-8-12-16/h2-12,14H,1,13H2,(H,22,25)
InChIKey OYRHXIWMHQSWJW-UHFFFAOYSA-N
Molecular Weight 347.436 g/mol
SMILES N1N=C(C=C(N(C1=S)CC=C)c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0a6r-1934000000-08fa7c5c42df13e26f7b
Source of Spectrum Y-45-526-9c
Synonyms phenyl-(5-phenyl-4-prop-2-enyl-3-sulfanylidene-2H-1,2,4-triazepin-7-yl)methanone
Wiley ID 1666310