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2-(Butylsulfanyl)-4-(4-fluorophenyl)-6-phenylnicotinonitrile
SpectraBase Compound ID 3WgjokwTfAi
InChI InChI=1S/C22H19FN2S/c1-2-3-13-26-22-20(15-24)19(16-9-11-18(23)12-10-16)14-21(25-22)17-7-5-4-6-8-17/h4-12,14H,2-3,13H2,1H3
InChIKey VVTMHWBWRQTDMZ-UHFFFAOYSA-N
Mol Weight 362.47 g/mol
Molecular Formula C22H19FN2S
Exact Mass 362.125298 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VcvUKgtlKP
Name 2-(Butylsulfanyl)-4-(4-fluorophenyl)-6-phenylnicotinonitrile
CAS Registry Number 336180-87-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19FN2S
InChI InChI=1S/C22H19FN2S/c1-2-3-13-26-22-20(15-24)19(16-9-11-18(23)12-10-16)14-21(25-22)17-7-5-4-6-8-17/h4-12,14H,2-3,13H2,1H3
InChIKey VVTMHWBWRQTDMZ-UHFFFAOYSA-N
Molecular Weight 362.466 g/mol
SMILES c1(c(nc(-c2ccccc2)cc1-c1ccc(F)cc1)SCCCC)C#N
SPLASH splash10-0829-3449000000-9564fa83a050f69f702d
Source of Spectrum AD-0-2532-0
Synonyms 2-(butylthio)-4-(4-fluorophenyl)-6-phenyl-3-pyridinecarbonitrile 2-(butylthio)-4-(4-fluorophenyl)-6-phenyl-nicotinonitrile 2-Butylsulfanyl-4-(4-fluorophenyl)-6-phenyl-pyridine-3-carbonitrile Pyridine-3-carbonitrile, 2-butylthio-4-(4-fluorophenyl)-6-phenyl-
Wiley ID 1425522