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2,6-Bis-[(2E)-2-(5-acetyl-3-(4-methylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxo-3-propanenitrile-2-yl]pyridine
SpectraBase Compound ID 7wq7Emzkf9I
InChI InChI=1S/C33H23N7O4S2/c1-18-8-12-22(13-9-18)39-32(45-30(37-39)20(3)41)24(16-34)28(43)26-6-5-7-27(36-26)29(44)25(17-35)33-40(38-31(46-33)21(4)42)23-14-10-19(2)11-15-23/h5-15H,1-4H3/b32-24+,33-25+
InChIKey NMFHVGHSRRIKGI-NFHPJVLCSA-N
Mol Weight 645.7 g/mol
Molecular Formula C33H23N7O4S2
Exact Mass 645.125295 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFELeWJPBZr
Name 2,6-Bis-[(2E)-2-(5-acetyl-3-(4-methylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxo-3-propanenitrile-2-yl]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H23N7O4S2
InChI InChI=1S/C33H23N7O4S2/c1-18-8-12-22(13-9-18)39-32(45-30(37-39)20(3)41)24(16-34)28(43)26-6-5-7-27(36-26)29(44)25(17-35)33-40(38-31(46-33)21(4)42)23-14-10-19(2)11-15-23/h5-15H,1-4H3/b32-24+,33-25+
InChIKey NMFHVGHSRRIKGI-NFHPJVLCSA-N
Molecular Weight 645.712 g/mol
SMILES C1(=NN(\C(S1)=C/(C(c1nc(C(\C(=C/2N(N=C(S2)C(=O)C)c2ccc(cc2)C)C#N)=O)ccc1)=O)C#N)c1ccc(cc1)C)C(=O)C
SPLASH splash10-0udi-7900002000-829bcd28e8ec2be10a39
Source of Spectrum Y-50-1163-24c
Synonyms 2,6-Bis-[(2E)-2-(5-acetyl-3-(4-methylphenyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxo-3-propanenitrile-2-yl]pyridine (2E,2'E)-3,3'-(pyridine-2,6-diyl)bis(2-(5-acetyl-3-(p-tolyl)-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxopropanenitrile)
Wiley ID 1736749