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Ethyl 5-(1-cyano-2-(3-methylbenzofuran-2-yl)-2-oxoethylidene)-4-p-tolyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
SpectraBase Compound ID KL9tJgTtEI3
InChI InChI=1S/C24H19N3O4S/c1-4-30-24(29)22-26-27(16-11-9-14(2)10-12-16)23(32-22)18(13-25)20(28)21-15(3)17-7-5-6-8-19(17)31-21/h5-12H,4H2,1-3H3/b23-18-
InChIKey CXHBRDXDYVTEEQ-NKFKGCMQSA-N
Mol Weight 445.49 g/mol
Molecular Formula C24H19N3O4S
Exact Mass 445.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZ2CGACkt70
Name Ethyl 5-(1-cyano-2-(3-methylbenzofuran-2-yl)-2-oxoethylidene)-4-p-tolyl-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
Alternate Name(s) (Z)-ethyl 5-(1-cyano-2-(3-methylbenzofuran-2-yl)-2-oxoethylidene)-4-(p-tolyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H19N3O4S
InChI InChI=1S/C24H19N3O4S/c1-4-30-24(29)22-26-27(16-11-9-14(2)10-12-16)23(32-22)18(13-25)20(28)21-15(3)17-7-5-6-8-19(17)31-21/h5-12H,4H2,1-3H3/b23-18-
InChIKey CXHBRDXDYVTEEQ-NKFKGCMQSA-N
Literature Reference DOI 10.1002/hc.20298
Molecular Weight 445.493 g/mol
SMILES c1ccc2c(c1)c(C)c(C(\C(C#N)=C\1N(N=C(S1)C(OCC)=O)c1ccc(cc1)C)=O)o2
SPLASH splash10-0002-3406900000-7c0858a554703958099c
Source of Spectrum HAC-18-298-14d
Wiley ID 1776030