For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Amino-4-[2-(4-bromo-phenyl)-2-oxo-ethylsulfanyl]-3-aza-spiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
SpectraBase Compound ID GCAST3Mhckd
InChI InChI=1S/C20H19BrN4OS/c21-14-6-4-13(5-7-14)17(26)12-27-19-16(11-23)20(8-2-1-3-9-20)15(10-22)18(24)25-19/h4-7,25H,1-3,8-9,12,24H2
InChIKey LNGPKGVQSMWPND-UHFFFAOYSA-N
Mol Weight 443.36 g/mol
Molecular Formula C20H19BrN4OS
Exact Mass 442.046295 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2SO1sK7Iwa
Name 2-Amino-4-[2-(4-bromo-phenyl)-2-oxo-ethylsulfanyl]-3-aza-spiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19BrN4OS
InChI InChI=1S/C20H19BrN4OS/c21-14-6-4-13(5-7-14)17(26)12-27-19-16(11-23)20(8-2-1-3-9-20)15(10-22)18(24)25-19/h4-7,25H,1-3,8-9,12,24H2
InChIKey LNGPKGVQSMWPND-UHFFFAOYSA-N
Molecular Weight 443.363 g/mol
SMILES N1C(=C(C2(C(=C1SCC(c1ccc(cc1)Br)=O)C#N)CCCCC2)C#N)N
SPLASH splash10-001r-1923400000-f3b3be1fc91427dda4cb
Synonyms 8-Amino-10-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile 8-Amino-10-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile 8-Amino-10-[[2-(4-bromophenyl)-2-oxoethyl]thio]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile 8-Azanyl-10-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile 2-Amino-4-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile 2-Amino-4-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile 2-Amino-4-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile 2-Azanyl-4-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Wiley ID 1453551