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2,6-Bis-[(2E)-2-(3,4-diphenyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxopropanenitrile-2-yl]pyridine

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2,6-Bis-[(2E)-2-(3,4-diphenyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxopropanenitrile-2-yl]pyridine
SpectraBase Compound ID Aeql5RZERp6
InChI InChI=1S/C39H23N7O2S2/c40-24-30(38-45(28-18-9-3-10-19-28)43-36(49-38)26-14-5-1-6-15-26)34(47)32-22-13-23-33(42-32)35(48)31(25-41)39-46(29-20-11-4-12-21-29)44-37(50-39)27-16-7-2-8-17-27/h1-23H/b38-30+,39-31+
InChIKey RZVHYPCNVBKGFF-JRXDEDDOSA-N
Mol Weight 685.8 g/mol
Molecular Formula C39H23N7O2S2
Exact Mass 685.135465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1T7sVr2e5Oy
Name 2,6-Bis-[(2E)-2-(3,4-diphenyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxopropanenitrile-2-yl]pyridine
Alternate Name(s) 2,6-Bis-[(2E)-2-(3,5-diphenyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxopropanenitrile-2-yl]pyridine (2E,2'E)-3,3'-(pyridine-2,6-diyl)bis(2-(3,5-diphenyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxopropanenitrile) (2E)-3-[6-[(2E)-2-cyano-2-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)-1-oxoethyl]-2-pyridinyl]-2-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)-3-oxopropanenitrile (2E)-3-[6-[(2E)-2-cyano-2-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)acetyl]pyridin-2-yl]-2-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)-3-oxopropanenitrile (2E)-3-[6-[(2E)-2-cyano-2-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)acetyl]-2-pyridyl]-2-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)-3-oxo-propanenitrile (2E)-3-[6-[(2E)-2-cyano-2-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)ethanoyl]pyridin-2-yl]-2-(3,5-diphenyl-1,3,4-thiadiazol-2-ylidene)-3-oxidanylidene-propanenitrile
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Formula C39H23N7O2S2
InChI InChI=1S/C39H23N7O2S2/c40-24-30(38-45(28-18-9-3-10-19-28)43-36(49-38)26-14-5-1-6-15-26)34(47)32-22-13-23-33(42-32)35(48)31(25-41)39-46(29-20-11-4-12-21-29)44-37(50-39)27-16-7-2-8-17-27/h1-23H/b38-30+,39-31+
InChIKey RZVHYPCNVBKGFF-JRXDEDDOSA-N
Molecular Weight 685.780 g/mol
SMILES C1(=NN(\C(S1)=C/(C(c1nc(C(\C(=C/2N(N=C(S2)c2ccccc2)c2ccccc2)C#N)=O)ccc1)=O)C#N)c1ccccc1)c1ccccc1
SPLASH splash10-005a-8572923000-ad169802ce3fdfbae289
Source of Spectrum Y-50-1163-26
Wiley ID 1736748