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N-(3,4-difluorophenyl)-2-[(5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID 2I7MXJu07Rs
InChI InChI=1S/C25H19F2N5OS/c26-19-11-10-17(14-20(19)27)28-22(33)15-34-25-29-24-23(30-31-25)18-8-4-5-9-21(18)32(24)13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,28,33)
InChIKey KZPQGVCBAUKQTI-UHFFFAOYSA-N
Mol Weight 475.52 g/mol
Molecular Formula C25H19F2N5OS
Exact Mass 475.127838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Y0JgiHKt6L
Name N-(3,4-difluorophenyl)-2-[(5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19F2N5OS
InChI InChI=1S/C25H19F2N5OS/c26-19-11-10-17(14-20(19)27)28-22(33)15-34-25-29-24-23(30-31-25)18-8-4-5-9-21(18)32(24)13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,28,33)
InChIKey KZPQGVCBAUKQTI-UHFFFAOYSA-N
Molecular Weight 475.518 g/mol
SMILES N(C(CSc1nc2c(c3ccccc3[n]2CCc2ccccc2)nn1)=O)c1cc(F)c(cc1)F
SPLASH splash10-002e-9824000000-d09d52b58390a9b032bd
Synonyms N-(3,4-difluorophenyl)-2-[(5-phenethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetamide N-(3,4-difluorophenyl)-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide N-(3,4-difluorophenyl)-2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]acetamide N-(3,4-difluorophenyl)-2-[[5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]acetamide
Wiley ID 1442572