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2-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile
SpectraBase Compound ID KdpwhfIItDF
InChI InChI=1S/C20H18BrN3O2S/c1-12(2)9-15-6-3-13(11-22)19(23-15)27-17-10-18(25)24(20(17)26)16-7-4-14(21)5-8-16/h3-8,12,17H,9-10H2,1-2H3
InChIKey WCNVWWXRYKZXTR-UHFFFAOYSA-N
Mol Weight 444.35 g/mol
Molecular Formula C20H18BrN3O2S
Exact Mass 443.030311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID t7nTJGKZ8e
Name 2-[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18BrN3O2S
InChI InChI=1S/C20H18BrN3O2S/c1-12(2)9-15-6-3-13(11-22)19(23-15)27-17-10-18(25)24(20(17)26)16-7-4-14(21)5-8-16/h3-8,12,17H,9-10H2,1-2H3
InChIKey WCNVWWXRYKZXTR-UHFFFAOYSA-N
Molecular Weight 444.347 g/mol
SMILES CC(Cc1nc(SC2C(N(C(C2)=O)c2ccc(cc2)Br)=O)c(C#N)cc1)C
SPLASH splash10-0udl-9820000000-584462791e6034a9dc88
Synonyms 2-[1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-6-isobutyl-pyridine-3-carbonitrile 2-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-(2-methylpropyl)pyridine-3-carbonitrile 2-[[1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]thio]-6-isobutyl-nicotinonitrile 2-[[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-6-(2-methylpropyl)-3-pyridinecarbonitrile
Wiley ID 1436799