4-Cyano-4-[(N,N-dimethylamino)dithiocarbamyl]-1-(3'-nitrophenyl)-3-phenylbutan-1-one

SpectraBase Compound ID	J1e1tQYqXvY
InChI	InChI=1S/C20H19N3O3S2/c1-22(2)20(27)28-19(13-21)17(14-7-4-3-5-8-14)12-18(24)15-9-6-10-16(11-15)23(25)26/h3-11,17,19H,12H2,1-2H3
InChIKey	MFLLTJSNYQNWQW-UHFFFAOYSA-N Google Search
Mol Weight	413.51 g/mol
Molecular Formula	C20H19N3O3S2
Exact Mass	413.086784 g/mol

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SpectraBase Spectrum ID	4FDTkgKCFk
Name	4-Cyano-4-[(N,N-dimethylamino)dithiocarbamyl]-1-(3'-nitrophenyl)-3-phenylbutan-1-one
Alternate Name(s)	4-Cyano-4-[(N,N-dimethyl)thiocarbamylthio]-1-(3'-nitrophenyl)-3-phenylbutan-1-one N,N-dimethylcarbamodithioic acid [1-cyano-4-(3-nitrophenyl)-4-oxo-2-phenylbutyl] ester [1-cyano-4-(3-nitrophenyl)-4-oxo-2-phenylbutyl] N,N-dimethylcarbamodithioate [1-cyano-4-(3-nitrophenyl)-4-oxo-2-phenyl-butyl] N,N-dimethylcarbamodithioate [1-cyano-4-(3-nitrophenyl)-4-oxidanylidene-2-phenyl-butyl] N,N-dimethylcarbamodithioate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H19N3O3S2
InChI	InChI=1S/C20H19N3O3S2/c1-22(2)20(27)28-19(13-21)17(14-7-4-3-5-8-14)12-18(24)15-9-6-10-16(11-15)23(25)26/h3-11,17,19H,12H2,1-2H3
InChIKey	MFLLTJSNYQNWQW-UHFFFAOYSA-N
Molecular Weight	413.510 g/mol
SMILES	c1(N(=O)=O)cc(C(CC(C(SC(=S)N(C)C)C#N)c2ccccc2)=O)ccc1
SPLASH	splash10-00dr-7910000000-8bbcbbf437fdce6835bb
Source of Spectrum	U1-1998-2233-7
Wiley ID	751847