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Phenol, 2-[2-[5-[[(4-chlorophenyl)methyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]ethyl]-
SpectraBase Compound ID L3Z3cYMZ1dk
InChI InChI=1S/C23H20ClN3OS/c24-19-13-10-17(11-14-19)16-29-23-26-25-22(27(23)20-7-2-1-3-8-20)15-12-18-6-4-5-9-21(18)28/h1-11,13-14,28H,12,15-16H2
InChIKey USAGZKFVTHEPMM-UHFFFAOYSA-N
Mol Weight 421.95 g/mol
Molecular Formula C23H20ClN3OS
Exact Mass 421.101561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTHSZ47iBs5
Name Phenol, 2-[2-[5-[[(4-chlorophenyl)methyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]ethyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20ClN3OS
InChI InChI=1S/C23H20ClN3OS/c24-19-13-10-17(11-14-19)16-29-23-26-25-22(27(23)20-7-2-1-3-8-20)15-12-18-6-4-5-9-21(18)28/h1-11,13-14,28H,12,15-16H2
InChIKey USAGZKFVTHEPMM-UHFFFAOYSA-N
Molecular Weight 421.946 g/mol
SMILES Oc1c(CCc2nnc(SCc3ccc(cc3)Cl)[n]2-c2ccccc2)cccc1
SPLASH splash10-004i-6910100000-eabdcd0decab44ef8faa
Source of Spectrum IY-1-4475-0
Synonyms 2-[2-[5-[(4-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]ethyl]phenol 2-[2-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]ethyl]phenol
Wiley ID 1652733