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3-[5'-Methyl-1'-(p-tolyl)-1',2',3'-triazol-4'-yl]-6-(.alpha.-naphthalenyl)-1,3,4-triazolo[3,4-b]-(1,3,4)-thiadiazole
SpectraBase Compound ID 57yHTrcP3I4
InChI InChI=1S/C23H17N7S/c1-14-10-12-17(13-11-14)29-15(2)20(24-28-29)21-25-26-23-30(21)27-22(31-23)19-9-5-7-16-6-3-4-8-18(16)19/h3-13H,1-2H3
InChIKey KZXPBEZREQRIHN-UHFFFAOYSA-N
Mol Weight 423.5 g/mol
Molecular Formula C23H17N7S
Exact Mass 423.126615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TbX3x4deUr
Name 3-[5'-Methyl-1'-(p-tolyl)-1',2',3'-triazol-4'-yl]-6-(.alpha.-naphthalenyl)-1,3,4-triazolo[3,4-b]-(1,3,4)-thiadiazole
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Formula C23H17N7S
InChI InChI=1S/C23H17N7S/c1-14-10-12-17(13-11-14)29-15(2)20(24-28-29)21-25-26-23-30(21)27-22(31-23)19-9-5-7-16-6-3-4-8-18(16)19/h3-13H,1-2H3
InChIKey KZXPBEZREQRIHN-UHFFFAOYSA-N
Molecular Weight 423.498 g/mol
SMILES c1([n]2c(nn1)SC(=N2)c1c2c(cccc2)ccc1)-c1nn[n](c1C)-c1ccc(cc1)C
SPLASH splash10-01bd-4922000000-6a03bf18d12cbbd60872
Source of Spectrum SK-31-85-6
Synonyms 3-[5'-Methyl-1'-(p-tolyl)-1',2',3'-triazol-4'-yl]-6-(.alpha.-naphthalenyl)-1,2,4-triazolo[3,4-b]-(1,3,4)-thiadiazole 3-[5-methyl-1-(4-methylphenyl)-4-triazolyl]-6-(1-naphthalenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-6-naphthalen-1-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 3-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-6-naphthalen-1-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Wiley ID 881752