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2-[[4-ethyl-5-[(2-fluorobenzyl)thio]-1,2,4-triazol-3-yl]methyl]-5-phenyl-tetrazole
SpectraBase Compound ID Da4MLY7qlba
InChI InChI=1S/C19H18FN7S/c1-2-26-17(12-27-24-18(22-25-27)14-8-4-3-5-9-14)21-23-19(26)28-13-15-10-6-7-11-16(15)20/h3-11H,2,12-13H2,1H3
InChIKey NTEAODJAIGKTKU-UHFFFAOYSA-N
Mol Weight 395.46 g/mol
Molecular Formula C19H18FN7S
Exact Mass 395.132843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eVCD9bVTtv
Name 2-[[4-ethyl-5-[(2-fluorobenzyl)thio]-1,2,4-triazol-3-yl]methyl]-5-phenyl-tetrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18FN7S
InChI InChI=1S/C19H18FN7S/c1-2-26-17(12-27-24-18(22-25-27)14-8-4-3-5-9-14)21-23-19(26)28-13-15-10-6-7-11-16(15)20/h3-11H,2,12-13H2,1H3
InChIKey NTEAODJAIGKTKU-UHFFFAOYSA-N
Molecular Weight 395.460 g/mol
SMILES c1cccc(-c2n[n](nn2)Cc2nnc([n]2CC)SCc2c(cccc2)F)c1
SPLASH splash10-0a4i-9811000000-4defb5cfd939b8612d74
Synonyms 2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,2,3,4-tetrazole 2-[[4-ethyl-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-5-phenyl-tetrazole 2-[[4-ethyl-5-[(2-fluorophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-5-phenyltetrazole 2H-1,2,3,4-Tetrazole, 2-[[4-ethyl-5-[[(2-fluorophenyl)methyl]thio]-4H-1,2,4-triazol-3-yl]methyl]-5-phenyl-
Wiley ID 1448877