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3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID 28hajmeSpqE
InChI InChI=1S/C19H14ClN7S/c1-12-17(21-25-26(12)15-9-7-14(20)8-10-15)18-22-23-19-27(18)24-16(11-28-19)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey OXPGUVIHUBEBSR-UHFFFAOYSA-N
Mol Weight 407.88 g/mol
Molecular Formula C19H14ClN7S
Exact Mass 407.071992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SEZhiej9M
Name 3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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Formula C19H14ClN7S
InChI InChI=1S/C19H14ClN7S/c1-12-17(21-25-26(12)15-9-7-14(20)8-10-15)18-22-23-19-27(18)24-16(11-28-19)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey OXPGUVIHUBEBSR-UHFFFAOYSA-N
Molecular Weight 407.883 g/mol
SMILES c1cc(ccc1-[n]1c(c(-c2[n]3c(nn2)SCC(=N3)c2ccccc2)nn1)C)Cl
SPLASH splash10-0h00-3920000000-fd6063918570f4842d1c
Source of Spectrum Y1-39B-781-5a
Wiley ID 1743973