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2,5(1H,3H)-Quinolinedione, 4,6,7,8-tetrahydro-7,7-dimethyl-4-(3-nitrophenyl)-1-[5-[[[3-(trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazol-2-yl]-
SpectraBase Compound ID Lwfs1LY24pJ
InChI InChI=1S/C27H23F3N4O4S2/c1-26(2)12-20-23(21(35)13-26)19(16-6-4-8-18(10-16)34(37)38)11-22(36)33(20)24-31-32-25(40-24)39-14-15-5-3-7-17(9-15)27(28,29)30/h3-10,19H,11-14H2,1-2H3
InChIKey DYERUMMJJAHZNI-UHFFFAOYSA-N
Mol Weight 588.62 g/mol
Molecular Formula C27H23F3N4O4S2
Exact Mass 588.111282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yUf91CVOjO
Name 2,5(1H,3H)-Quinolinedione, 4,6,7,8-tetrahydro-7,7-dimethyl-4-(3-nitrophenyl)-1-[5-[[[3-(trifluoromethyl)phenyl]methyl]thio]-1,3,4-thiadiazol-2-yl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23F3N4O4S2
InChI InChI=1S/C27H23F3N4O4S2/c1-26(2)12-20-23(21(35)13-26)19(16-6-4-8-18(10-16)34(37)38)11-22(36)33(20)24-31-32-25(40-24)39-14-15-5-3-7-17(9-15)27(28,29)30/h3-10,19H,11-14H2,1-2H3
InChIKey DYERUMMJJAHZNI-UHFFFAOYSA-N
Molecular Weight 588.620 g/mol
SMILES c1cc(cc(C2C=3C(=O)CC(CC3N(C(C2)=O)c2sc(nn2)SCc2cccc(c2)C(F)(F)F)(C)C)c1)N(=O)=O
SPLASH splash10-0a4i-4914000000-0d2201add2c154ac24de
Source of Spectrum IY-1-4701-7
Synonyms 7,7-Dimethyl-4-(3-nitrophenyl)-1-[5-[[3-(trifluoromethyl)phenyl]methylthio]-1,3,4-thiadiazol-2-yl]-3,4,6,8-tetrahydroquinoline-2,5-dione 7,7-Dimethyl-4-(3-nitrophenyl)-1-[5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4,6,8-tetrahydroquinoline-2,5-dione
Wiley ID 1655000