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1,3-Bis (6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-3-ylsulfanylmethyl)benzene

View entire compound with spectra: 1 MS (GC)

1,3-Bis (6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-3-ylsulfanylmethyl)benzene
SpectraBase Compound ID CE82AxxQCJa
InChI InChI=1S/C28H22N8S4/c1-3-10-21(11-4-1)23-17-39-27-31-29-25(35(27)33-23)37-15-19-8-7-9-20(14-19)16-38-26-30-32-28-36(26)34-24(18-40-28)22-12-5-2-6-13-22/h1-14H,15-18H2
InChIKey UDNDEAGIEGDHHW-UHFFFAOYSA-N
Mol Weight 598.8 g/mol
Molecular Formula C28H22N8S4
Exact Mass 598.085027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94lyKjSzzwo
Name 1,3-Bis (6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-3-ylsulfanylmethyl)benzene
Alternate Name(s) 1,3-Bis (6-phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-3-ylsulfanylmethyl)benzene 1,3-Bis(((6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)thio)methyl)benzene
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Formula C28H22N8S4
InChI InChI=1S/C28H22N8S4/c1-3-10-21(11-4-1)23-17-39-27-31-29-25(35(27)33-23)37-15-19-8-7-9-20(14-19)16-38-26-30-32-28-36(26)34-24(18-40-28)22-12-5-2-6-13-22/h1-14H,15-18H2
InChIKey UDNDEAGIEGDHHW-UHFFFAOYSA-N
Molecular Weight 598.780 g/mol
SMILES C1(=N[n]2c(SC1)nnc2SCc1cc(CSc2[n]3N=C(CSc3nn2)c2ccccc2)ccc1)c1ccccc1
SPLASH splash10-0a4i-0900000000-f95dfc6ab0ce2fd45339
Source of Spectrum Y-51-E181-15b
Wiley ID 1741567