2-Amino-6-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-undecyl-dinicotinonitrile

SpectraBase Compound ID	IE5ZTatLOSj
InChI	InChI=1S/C26H31ClN4OS/c1-2-3-4-5-6-7-8-9-10-11-21-22(16-28)25(30)31-26(23(21)17-29)33-18-24(32)19-12-14-20(27)15-13-19/h12-15H,2-11,18H2,1H3,(H2,30,31)
InChIKey	QGHXRQZWALFGEH-UHFFFAOYSA-N Google Search
Mol Weight	483.07 g/mol
Molecular Formula	C26H31ClN4OS
Exact Mass	482.190711 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	LTWV6vZZPOw
Name	2-Amino-6-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-undecyl-dinicotinonitrile
Alternate Name(s)	2-Amino-6-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-undecylpyridine-3,5-dicarbonitrile 2-Azanyl-6-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-undecyl-pyridine-3,5-dicarbonitrile 2-Amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-undecylpyridine-3,5-dicarbonitrile
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H31ClN4OS
InChI	InChI=1S/C26H31ClN4OS/c1-2-3-4-5-6-7-8-9-10-11-21-22(16-28)25(30)31-26(23(21)17-29)33-18-24(32)19-12-14-20(27)15-13-19/h12-15H,2-11,18H2,1H3,(H2,30,31)
InChIKey	QGHXRQZWALFGEH-UHFFFAOYSA-N
Molecular Weight	483.074 g/mol
SMILES	Nc1c(c(c(c(n1)SCC(c1ccc(cc1)Cl)=O)C#N)CCCCCCCCCCC)C#N
SPLASH	splash10-000i-2900000000-5f81e6926fe4c591688e
Wiley ID	1460666