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1,3-Bis(6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-3-ylsulfanylmethyl)pyridine
SpectraBase Compound ID oX4WoLyyDE
InChI InChI=1S/C27H21N9S4/c1-3-8-18(9-4-1)22-16-39-26-31-29-24(35(26)33-22)37-14-20-12-7-13-21(28-20)15-38-25-30-32-27-36(25)34-23(17-40-27)19-10-5-2-6-11-19/h1-13,16-17,33-34H,14-15H2
InChIKey LNZOYPXHFBBXGH-UHFFFAOYSA-N
Mol Weight 599.8 g/mol
Molecular Formula C27H21N9S4
Exact Mass 599.080276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OYS0Mu37LY
Name 1,3-Bis(6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-3-ylsulfanylmethyl)pyridine
Alternate Name(s) 2,6-Bis(((6-phenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)thio)methyl)pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21N9S4
InChI InChI=1S/C27H21N9S4/c1-3-8-18(9-4-1)22-16-39-26-31-29-24(35(26)33-22)37-14-20-12-7-13-21(28-20)15-38-25-30-32-27-36(25)34-23(17-40-27)19-10-5-2-6-11-19/h1-13,16-17,33-34H,14-15H2
InChIKey LNZOYPXHFBBXGH-UHFFFAOYSA-N
Molecular Weight 599.768 g/mol
SMILES N1C(=CSc2[n]1c(SCc1nc(CSc3nnc4[n]3NC(=CS4)c3ccccc3)ccc1)nn2)c1ccccc1
SPLASH splash10-0a4i-9200000000-10012b48eff72c5898e9
Source of Spectrum Y-51-E181-15d
Wiley ID 1741566