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N-(3,4-difluorophenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID JnvvxMyP0Fl
InChI InChI=1S/C20H17F2N5OS/c1-2-9-27-16-6-4-3-5-13(16)18-19(27)24-20(26-25-18)29-11-17(28)23-12-7-8-14(21)15(22)10-12/h3-8,10H,2,9,11H2,1H3,(H,23,28)
InChIKey LNXSJHZTUUMWMG-UHFFFAOYSA-N
Mol Weight 413.45 g/mol
Molecular Formula C20H17F2N5OS
Exact Mass 413.112188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TROQRC43AU
Name N-(3,4-difluorophenyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17F2N5OS
InChI InChI=1S/C20H17F2N5OS/c1-2-9-27-16-6-4-3-5-13(16)18-19(27)24-20(26-25-18)29-11-17(28)23-12-7-8-14(21)15(22)10-12/h3-8,10H,2,9,11H2,1H3,(H,23,28)
InChIKey LNXSJHZTUUMWMG-UHFFFAOYSA-N
Molecular Weight 413.447 g/mol
SMILES N(C(CSc1nc2c(c3ccccc3[n]2CCC)nn1)=O)c1cc(F)c(cc1)F
SPLASH splash10-000i-5970000000-6bdb971a3c887e12ba95
Synonyms N-(3,4-difluorophenyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide N-(3,4-difluorophenyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamide N-(3,4-difluorophenyl)-2-[(5-propyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetamide N-[3,4-bis(fluoranyl)phenyl]-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide
Wiley ID 1442573