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9,10-Bis(6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-3-ylsulfanylmethyl)anthracene

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9,10-Bis(6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-3-ylsulfanylmethyl)anthracene
SpectraBase Compound ID 2Ecz0IOqE2Q
InChI InChI=1S/C36H26N8S4/c1-3-11-23(12-4-1)31-21-47-35-39-37-33(43(35)41-31)45-19-29-25-15-7-9-17-27(25)30(28-18-10-8-16-26(28)29)20-46-34-38-40-36-44(34)42-32(22-48-36)24-13-5-2-6-14-24/h1-18H,19-22H2
InChIKey GWWFRQFTWMMECF-UHFFFAOYSA-N
Mol Weight 698.9 g/mol
Molecular Formula C36H26N8S4
Exact Mass 698.116328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9zUl8Eonbq
Name 9,10-Bis(6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-3-ylsulfanylmethyl)anthracene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H26N8S4
InChI InChI=1S/C36H26N8S4/c1-3-11-23(12-4-1)31-21-47-35-39-37-33(43(35)41-31)45-19-29-25-15-7-9-17-27(25)30(28-18-10-8-16-26(28)29)20-46-34-38-40-36-44(34)42-32(22-48-36)24-13-5-2-6-14-24/h1-18H,19-22H2
InChIKey GWWFRQFTWMMECF-UHFFFAOYSA-N
Molecular Weight 698.900 g/mol
SMILES C1(=N[n]2c(SC1)nnc2SCc1c2c(cccc2)c(c2c1cccc2)CSc1[n]2N=C(CSc2nn1)c1ccccc1)c1ccccc1
SPLASH splash10-0a4i-9100000000-807ef5aa53e0dbb0c7ea
Source of Spectrum Y-51-E181-15f
Synonyms 9,10-Bis(6-phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-3-ylsulfanylmethyl)anthracene 9,10-bis(((6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)thio)methyl)anthracene
Wiley ID 1741564