2-(2,4-Difluorophenyl)-1,1-difluoro-1-[(4-methylphenyl)thio]-3-(1H-1,2,4-triazol-1-yl)-2-propanol

SpectraBase Compound ID	DbWqcSKznOf
InChI	InChI=1S/C18H15F4N3OS/c1-12-2-5-14(6-3-12)27-18(21,22)17(26,9-25-11-23-10-24-25)15-7-4-13(19)8-16(15)20/h2-8,10-11,26H,9H2,1H3
InChIKey	JQLBHKYWPMHIOG-UHFFFAOYSA-N Google Search
Mol Weight	397.39 g/mol
Molecular Formula	C18H15F4N3OS
Exact Mass	397.087196 g/mol

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SpectraBase Spectrum ID	JcSasN4UmUn
Name	2-(2,4-Difluorophenyl)-1,1-difluoro-1-[(4-methylphenyl)thio]-3-(1H-1,2,4-triazol-1-yl)-2-propanol
Alternate Name(s)	2-(2,4-difluorophenyl)-1,1-difluoro-1-[(4-methylphenyl)sulfanyl]-3-(1H-1,2,4-triazol-1-yl)-2-propanol 2-(2,4-difluorophenyl)-1,1-difluoro-1-[(4-methylphenyl)thio]-3-(1,2,4-triazol-1-yl)-2-propanol 2-(2,4-difluorophenyl)-1,1-difluoro-1-(4-methylphenyl)sulfanyl-3-(1,2,4-triazol-1-yl)propan-2-ol 2-(2,4-difluorophenyl)-1,1-difluoro-1-(p-tolylsulfanyl)-3-(1,2,4-triazol-1-yl)propan-2-ol 2-[2,4-bis(fluoranyl)phenyl]-1,1-bis(fluoranyl)-1-(4-methylphenyl)sulfanyl-3-(1,2,4-triazol-1-yl)propan-2-ol
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H15F4N3OS
InChI	InChI=1S/C18H15F4N3OS/c1-12-2-5-14(6-3-12)27-18(21,22)17(26,9-25-11-23-10-24-25)15-7-4-13(19)8-16(15)20/h2-8,10-11,26H,9H2,1H3
InChIKey	JQLBHKYWPMHIOG-UHFFFAOYSA-N
Molecular Weight	397.392 g/mol
SMILES	OC(C(Sc1ccc(cc1)C)(F)F)(C[n]1ncnc1)c1c(cc(cc1)F)F
SPLASH	splash10-00di-0090000000-2d0cb1691e84c0e6b291
Source of Spectrum	E2-49-180-9
Wiley ID	1555591