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Ethyl 2-dicyanomethylene-4-cyclohexylamino-2,3-dihydro-3-(4-nitrophenyl)thiazole-5-carboxylate
SpectraBase Compound ID IRij3IzEHQi
InChI InChI=1S/C21H21N5O4S/c1-2-30-21(27)18-19(24-15-6-4-3-5-7-15)25(20(31-18)14(12-22)13-23)16-8-10-17(11-9-16)26(28)29/h8-11,15,24H,2-7H2,1H3
InChIKey YRWNLUUGQYZMBP-UHFFFAOYSA-N
Mol Weight 439.49 g/mol
Molecular Formula C21H21N5O4S
Exact Mass 439.131425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXS1vtHhZbq
Name Ethyl 2-dicyanomethylene-4-cyclohexylamino-2,3-dihydro-3-(4-nitrophenyl)thiazole-5-carboxylate
Alternate Name(s) Ethyl 4-(cyclohexylamino)-2-(dicyanomethylene)-3-(4-nitrophenyl)-2,3-dihydrothiazole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N5O4S
InChI InChI=1S/C21H21N5O4S/c1-2-30-21(27)18-19(24-15-6-4-3-5-7-15)25(20(31-18)14(12-22)13-23)16-8-10-17(11-9-16)26(28)29/h8-11,15,24H,2-7H2,1H3
InChIKey YRWNLUUGQYZMBP-UHFFFAOYSA-N
Molecular Weight 439.490 g/mol
SMILES N(C=1N(C(SC1C(=O)OCC)=C(C#N)C#N)c1ccc(N(=O)=O)cc1)C1CCCCC1
SPLASH splash10-069a-1920000000-5060dfe69b9f382cf0df
Source of Spectrum F-69-2465-6f
Wiley ID 1737785