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2-[(5-phenethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-N-(4-sec-butylphenyl)acetamide
SpectraBase Compound ID DuKgALoRsla
InChI InChI=1S/C29H29N5OS/c1-3-20(2)22-13-15-23(16-14-22)30-26(35)19-36-29-31-28-27(32-33-29)24-11-7-8-12-25(24)34(28)18-17-21-9-5-4-6-10-21/h4-16,20H,3,17-19H2,1-2H3,(H,30,35)
InChIKey WPIBQKLFCONNPK-UHFFFAOYSA-N
Mol Weight 495.65 g/mol
Molecular Formula C29H29N5OS
Exact Mass 495.209282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73vvNzaCJ4s
Name 2-[(5-phenethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-N-(4-sec-butylphenyl)acetamide
Alternate Name(s) N-(4-butan-2-ylphenyl)-2-[(5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide N-(4-butan-2-ylphenyl)-2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]acetamide N-(4-butan-2-ylphenyl)-2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetamide 2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-(4-sec-butylphenyl)acetamide
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Formula C29H29N5OS
InChI InChI=1S/C29H29N5OS/c1-3-20(2)22-13-15-23(16-14-22)30-26(35)19-36-29-31-28-27(32-33-29)24-11-7-8-12-25(24)34(28)18-17-21-9-5-4-6-10-21/h4-16,20H,3,17-19H2,1-2H3,(H,30,35)
InChIKey WPIBQKLFCONNPK-UHFFFAOYSA-N
Molecular Weight 495.645 g/mol
SMILES N(C(CSc1nc2c(c3ccccc3[n]2CCc2ccccc2)nn1)=O)c1ccc(cc1)C(CC)C
SPLASH splash10-0002-6926000000-1dc4df677a24e11e1717
Wiley ID 1461409