1-[1-(Methylthio)octan-2-yl]-4-phenyl-1H-1,2,3-triazole

SpectraBase Compound ID	DW0CpYQsvti
InChI	InChI=1S/C17H25N3S/c1-3-4-5-9-12-16(14-21-2)20-13-17(18-19-20)15-10-7-6-8-11-15/h6-8,10-11,13,16H,3-5,9,12,14H2,1-2H3
InChIKey	XRXBYKNEIBAUFN-UHFFFAOYSA-N Google Search
Mol Weight	303.47 g/mol
Molecular Formula	C17H25N3S
Exact Mass	303.176919 g/mol

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SpectraBase Spectrum ID	6IqVeLyEIbJ
Name	1-[1-(Methylthio)octan-2-yl]-4-phenyl-1H-1,2,3-triazole
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H25N3S
InChI	InChI=1S/C17H25N3S/c1-3-4-5-9-12-16(14-21-2)20-13-17(18-19-20)15-10-7-6-8-11-15/h6-8,10-11,13,16H,3-5,9,12,14H2,1-2H3
InChIKey	XRXBYKNEIBAUFN-UHFFFAOYSA-N
Literature Reference DOI	10.1021/jo400110m
Molecular Weight	303.468 g/mol
SMILES	C(CCCCC(CSC)[n]1nnc(c1)-c1ccccc1)C
SPLASH	splash10-07vi-7920000000-2d7ddbfcff8aa183bfba
Source of Spectrum	J-78-5036-3ea'
Synonyms	1-(1-(methylthio)octan-2-yl)-4-phenyl-1H-1,2,3-triazole 1-[1-(methylthio)octan-2-yl]-4-phenyltriazole 1-(1-Methylsulfanyloctan-2-yl)-4-phenyltriazole 1-[1-(methylsulfanylmethyl)heptyl]-4-phenyl-triazole 1-(1-Methylsulfanyloctan-2-yl)-4-phenyl-1,2,3-triazole
Wiley ID	1745442