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3-[5'-Methyl-1'-(p-tolyl)-1',2',3'-triazol-4'-yl]-6-[5"-methyl-1"-(p-chlorophenyl)-1",2",3'-triazol-4"-yl]-1,3,4-triazolo[3,4-b]-(1,3,4)-thiadiazole
SpectraBase Compound ID EsuoT6CZyeZ
InChI InChI=1S/C22H17ClN10S/c1-12-4-8-16(9-5-12)31-13(2)18(24-29-31)20-26-27-22-33(20)28-21(34-22)19-14(3)32(30-25-19)17-10-6-15(23)7-11-17/h4-11H,1-3H3
InChIKey VNPTYGWWABYJRW-UHFFFAOYSA-N
Mol Weight 488.96 g/mol
Molecular Formula C22H17ClN10S
Exact Mass 488.104689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDBtuNUCzMj
Name 3-[5'-Methyl-1'-(p-tolyl)-1',2',3'-triazol-4'-yl]-6-[5"-methyl-1"-(p-chlorophenyl)-1",2",3'-triazol-4"-yl]-1,3,4-triazolo[3,4-b]-(1,3,4)-thiadiazole
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Formula C22H17ClN10S
InChI InChI=1S/C22H17ClN10S/c1-12-4-8-16(9-5-12)31-13(2)18(24-29-31)20-26-27-22-33(20)28-21(34-22)19-14(3)32(30-25-19)17-10-6-15(23)7-11-17/h4-11H,1-3H3
InChIKey VNPTYGWWABYJRW-UHFFFAOYSA-N
Molecular Weight 488.961 g/mol
SMILES c1([n]2c(nn1)SC(=N2)c1nn[n](c1C)-c1ccc(cc1)Cl)-c1nn[n](c1C)-c1ccc(cc1)C
SPLASH splash10-0296-9810100000-beec2fde5e2135987152
Source of Spectrum SK-31-85-6
Synonyms 3-[5'-Methyl-1'-(p-tolyl)-1',2',3'-triazol-4'-yl]-6-[5''-methyl-1''-(p-chlorophenyl)-1'',2'',3'-triazol-4''-yl]-1,3,4-triazolo[3,4-b]-(1,3,4)-thiadiazole 6-[1-(4-chlorophenyl)-5-methyl-4-triazolyl]-3-[5-methyl-1-(4-methylphenyl)-4-triazolyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 6-[1-(4-chlorophenyl)-5-methyl-1,2,3-triazol-4-yl]-3-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Wiley ID 881750