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4-[5-[2-(2-fluoroanilino)-2-oxo-ethyl]sulfanyltetrazol-1-yl]benzamide
SpectraBase Compound ID FuMOrKpAVhm
InChI InChI=1S/C16H13FN6O2S/c17-12-3-1-2-4-13(12)19-14(24)9-26-16-20-21-22-23(16)11-7-5-10(6-8-11)15(18)25/h1-8H,9H2,(H2,18,25)(H,19,24)
InChIKey GXRLWAAFJNSHHQ-UHFFFAOYSA-N
Mol Weight 372.38 g/mol
Molecular Formula C16H13FN6O2S
Exact Mass 372.080473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGdJahwmZNV
Name 4-[5-[2-(2-fluoroanilino)-2-oxo-ethyl]sulfanyltetrazol-1-yl]benzamide
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Formula C16H13FN6O2S
InChI InChI=1S/C16H13FN6O2S/c17-12-3-1-2-4-13(12)19-14(24)9-26-16-20-21-22-23(16)11-7-5-10(6-8-11)15(18)25/h1-8H,9H2,(H2,18,25)(H,19,24)
InChIKey GXRLWAAFJNSHHQ-UHFFFAOYSA-N
Molecular Weight 372.378 g/mol
SMILES N(C(CSc1[n](-c2ccc(C(=O)N)cc2)nnn1)=O)c1c(F)cccc1
SPLASH splash10-03di-3900000000-d3a48e45020a22bf9eef
Synonyms 4-[5-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzamide 4-[5-[[2-(2-fluoroanilino)-2-keto-ethyl]thio]tetrazol-1-yl]benzamide 4-[5-[[2-(2-fluoroanilino)-2-oxoethyl]thio]-1-tetrazolyl]benzamide
Wiley ID 1452009