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2-(5-acetyl-3-p-tolyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-(3-methylbenzofuran-2-yl)-3-oxopropanenitrile
SpectraBase Compound ID HmsE46JbAEL
InChI InChI=1S/C23H17N3O3S/c1-13-8-10-16(11-9-13)26-23(30-22(25-26)15(3)27)18(12-24)20(28)21-14(2)17-6-4-5-7-19(17)29-21/h4-11H,1-3H3/b23-18-
InChIKey OLKJKIDSFYUZFX-NKFKGCMQSA-N
Mol Weight 415.47 g/mol
Molecular Formula C23H17N3O3S
Exact Mass 415.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AJL5ZSdG5x
Name 2-(5-acetyl-3-p-tolyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-(3-methylbenzofuran-2-yl)-3-oxopropanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17N3O3S
InChI InChI=1S/C23H17N3O3S/c1-13-8-10-16(11-9-13)26-23(30-22(25-26)15(3)27)18(12-24)20(28)21-14(2)17-6-4-5-7-19(17)29-21/h4-11H,1-3H3/b23-18-
InChIKey OLKJKIDSFYUZFX-NKFKGCMQSA-N
Literature Reference DOI 10.1002/hc.20298
Molecular Weight 415.467 g/mol
SMILES c1ccc2oc(C(\C(C#N)=C\3N(N=C(S3)C(C)=O)c3ccc(cc3)C)=O)c(C)c2c1
SPLASH splash10-014i-1203900000-bede5fed11746323b354
Source of Spectrum HAC-18-298-14b
Synonyms (Z)-2-(5-acetyl-3-(p-tolyl)-1,3,4-thiadiazol-2(3H)-ylidene)-3-(3-methylbenzofuran-2-yl)-3-oxopropanenitrile
Wiley ID 1776028