1-[(1R*,8R*,Z)-8-(Methylthio)cyclooct-4-en-1-yl)]-4-phenyl-1H-1,2,3-triazole

SpectraBase Compound ID	3oTPlkGkxd4
InChI	InChI=1S/C17H21N3S/c1-21-17-12-8-3-2-7-11-16(17)20-13-15(18-19-20)14-9-5-4-6-10-14/h2-6,9-10,13,16-17H,7-8,11-12H2,1H3/b3-2-/t16-,17-/m1/s1
InChIKey	RWGYNHKRLMLPHM-KWWITBOBSA-N Google Search
Mol Weight	299.44 g/mol
Molecular Formula	C17H21N3S
Exact Mass	299.145619 g/mol

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SpectraBase Spectrum ID	J4dqNW9JxMk
Name	1-[(1R,8R,Z)-8-(Methylthio)cyclooct-4-en-1-yl)]-4-phenyl-1H-1,2,3-triazole
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H21N3S
InChI	InChI=1S/C17H21N3S/c1-21-17-12-8-3-2-7-11-16(17)20-13-15(18-19-20)14-9-5-4-6-10-14/h2-6,9-10,13,16-17H,7-8,11-12H2,1H3/b3-2-/t16-,17-/m1/s1
InChIKey	RWGYNHKRLMLPHM-KWWITBOBSA-N
Literature Reference DOI	10.1021/jo400110m
Molecular Weight	299.436 g/mol
SMILES	C1\C=C/CC[C@@]([n]2nnc(c2)-c2ccccc2)([C@@](C1)(SC)[H])[H]
SPLASH	splash10-0fvi-9740000000-5c157995e6c0087cdcd2
Source of Spectrum	J-78-5035-3ba
Synonyms	1-((1R,8R,Z)-8-(methylthio)cyclooct-4-en-1-yl)-4-phenyl-1H-1,2,3-triazole 1-[(1R,4Z,8R)-8-(methylthio)-1-cyclooct-4-enyl]-4-phenyltriazole 1-[(1R,4Z,8R)-8-methylsulfanylcyclooct-4-en-1-yl]-4-phenyltriazole 1-[(1R,4Z,8R)-8-methylsulfanylcyclooct-4-en-1-yl]-4-phenyl-triazole 1-[(1R,4Z,8R)-8-methylsulfanylcyclooct-4-en-1-yl]-4-phenyl-1,2,3-triazole
Wiley ID	1745439