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 |