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[1,3]dioxolo[4,5-g]quinolin-6-ol, 7-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-8-methyl-
SpectraBase Compound ID Aog1gvRzgCj
InChI InChI=1S/C21H18N4O3S/c1-3-25-19(13-7-5-4-6-8-13)23-24-21(25)29-18-12(2)14-9-16-17(28-11-27-16)10-15(14)22-20(18)26/h4-10H,3,11H2,1-2H3,(H,22,26)
InChIKey KLEVHXKQWMPNBP-UHFFFAOYSA-N
Mol Weight 406.46 g/mol
Molecular Formula C21H18N4O3S
Exact Mass 406.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTzUsi3D6dA
Name 7-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-8-methyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
Alternate Name(s) 7-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-8-methyl-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
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Formula C21H18N4O3S
InChI InChI=1S/C21H18N4O3S/c1-3-25-19(13-7-5-4-6-8-13)23-24-21(25)29-18-12(2)14-9-16-17(28-11-27-16)10-15(14)22-20(18)26/h4-10H,3,11H2,1-2H3,(H,22,26)
InChIKey KLEVHXKQWMPNBP-UHFFFAOYSA-N
Molecular Weight 406.460 g/mol
SMILES Oc1nc2c(c(c1Sc1[n](c(nn1)-c1ccccc1)CC)C)cc1c(OCO1)c2
SPLASH splash10-0gi0-5962100000-f87f456998df76f093cf
Wiley ID 1460464