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2-(3,5-diphenyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-(3-methylbenzofuran-2-yl)-3-oxopropanenitrile
SpectraBase Compound ID FFA3MTQ9umr
InChI InChI=1S/C26H17N3O2S/c1-17-20-14-8-9-15-22(20)31-24(17)23(30)21(16-27)26-29(19-12-6-3-7-13-19)28-25(32-26)18-10-4-2-5-11-18/h2-15H,1H3/b26-21-
InChIKey NPFNJURYBHFGJK-QLYXXIJNSA-N
Mol Weight 435.5 g/mol
Molecular Formula C26H17N3O2S
Exact Mass 435.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fkqfSmTPU9
Name 2-(3,5-diphenyl-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 C26H17N3O2S
InChI InChI=1S/C26H17N3O2S/c1-17-20-14-8-9-15-22(20)31-24(17)23(30)21(16-27)26-29(19-12-6-3-7-13-19)28-25(32-26)18-10-4-2-5-11-18/h2-15H,1H3/b26-21-
InChIKey NPFNJURYBHFGJK-QLYXXIJNSA-N
Literature Reference DOI 10.1002/hc.20298
Molecular Weight 435.501 g/mol
SMILES c1ccc2c(c1)c(C)c(C(\C(C#N)=C\1N(N=C(S1)c1ccccc1)c1ccccc1)=O)o2
SPLASH splash10-000i-1300900000-ecfe857bdc17d57333c9
Source of Spectrum HAC-18-298-14a
Synonyms (Z)-2-(3,5-diphenyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-(3-methylbenzofuran-2-yl)-3-oxopropanenitrile
Wiley ID 1776027