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3-Methylsulfanyl-5-phenyl-6-[1-(phenylsulfonyl)hex-5-ynyl]-1,2,4-triazine
SpectraBase Compound ID IXu1G2eZJYU
InChI InChI=1S/C22H21N3O2S2/c1-3-4-7-16-19(29(26,27)18-14-10-6-11-15-18)21-20(17-12-8-5-9-13-17)23-22(28-2)25-24-21/h1,5-6,8-15,19H,4,7,16H2,2H3
InChIKey UGGGJVKZADBYMU-UHFFFAOYSA-N
Mol Weight 423.55 g/mol
Molecular Formula C22H21N3O2S2
Exact Mass 423.107519 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JU2fTgbXDwO
Name 3-Methylsulfanyl-5-phenyl-6-[1-(phenylsulfonyl)hex-5-ynyl]-1,2,4-triazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O2S2
InChI InChI=1S/C22H21N3O2S2/c1-3-4-7-16-19(29(26,27)18-14-10-6-11-15-18)21-20(17-12-8-5-9-13-17)23-22(28-2)25-24-21/h1,5-6,8-15,19H,4,7,16H2,2H3
InChIKey UGGGJVKZADBYMU-UHFFFAOYSA-N
Molecular Weight 423.549 g/mol
SMILES c1(nnc(c(n1)-c1ccccc1)C(CCCC#C)S(=O)(=O)c1ccccc1)SC
SPLASH splash10-0pei-5933000000-07c8973c9713c25207b8
Source of Spectrum E2-50-466-14
Synonyms 6-(1-besylhex-5-ynyl)-3-(methylthio)-5-phenyl-1,2,4-triazine 6-[1-(benzenesulfonyl)hex-5-ynyl]-3-(methylthio)-5-phenyl-1,2,4-triazine 6-[1-(benzenesulfonyl)hex-5-ynyl]-3-methylsulfanyl-5-phenyl-1,2,4-triazine
Wiley ID 1555858