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2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(1,1,3,3-tetramethylbutyl)acetamide
SpectraBase Compound ID Lc0PZjFMpaG
InChI InChI=1S/C26H31N5OS/c1-25(2,3)17-26(4,5)28-21(32)16-33-24-27-23-22(29-30-24)19-13-9-10-14-20(19)31(23)15-18-11-7-6-8-12-18/h6-14H,15-17H2,1-5H3,(H,28,32)
InChIKey PODANWJWNCARIP-UHFFFAOYSA-N
Mol Weight 461.63 g/mol
Molecular Formula C26H31N5OS
Exact Mass 461.224932 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mKXINjbrDY
Name 2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(1,1,3,3-tetramethylbutyl)acetamide
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Formula C26H31N5OS
InChI InChI=1S/C26H31N5OS/c1-25(2,3)17-26(4,5)28-21(32)16-33-24-27-23-22(29-30-24)19-13-9-10-14-20(19)31(23)15-18-11-7-6-8-12-18/h6-14H,15-17H2,1-5H3,(H,28,32)
InChIKey PODANWJWNCARIP-UHFFFAOYSA-N
Molecular Weight 461.628 g/mol
SMILES N(C(CSc1nc2[n](c3ccccc3c2nn1)Cc1ccccc1)=O)C(CC(C)(C)C)(C)C
SPLASH splash10-053u-5239000000-919202b743285983ce9e
Synonyms 2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide 2-[(5-benzyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-N-(1,1,3,3-tetramethylbutyl)acetamide 2-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-(2,4,4-trimethylpentan-2-yl)ethanamide 2-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-N-(2,4,4-trimethylpentan-2-yl)acetamide
Wiley ID 1454856