SpectraBase Compound ID | EsuoT6CZyeZ |
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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 |
SpectraBase Spectrum ID | KDBtuNUCzMj |
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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 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
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 |