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7-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
SpectraBase Compound ID 8plJ2v2TTKI
InChI InChI=1S/C25H18N4O3S/c1-15-18-12-20-21(32-14-31-20)13-19(18)26-24(30)22(15)33-25-28-27-23(16-8-4-2-5-9-16)29(25)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,26,30)
InChIKey MJZKZWNZZSTPBQ-UHFFFAOYSA-N
Mol Weight 454.5 g/mol
Molecular Formula C25H18N4O3S
Exact Mass 454.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vR2niOoRvg
Name 7-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-8-methyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18N4O3S
InChI InChI=1S/C25H18N4O3S/c1-15-18-12-20-21(32-14-31-20)13-19(18)26-24(30)22(15)33-25-28-27-23(16-8-4-2-5-9-16)29(25)17-10-6-3-7-11-17/h2-13H,14H2,1H3,(H,26,30)
InChIKey MJZKZWNZZSTPBQ-UHFFFAOYSA-N
Molecular Weight 454.504 g/mol
SMILES N1c2c(C(=C(C1=O)Sc1[n](c(-c3ccccc3)nn1)-c1ccccc1)C)cc1c(c2)OCO1
SPLASH splash10-016r-7950200000-acdaceffd83e1156a78b
Synonyms 7-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-8-methyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one 7-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
Wiley ID 1460465