![2,6-Bis-[(2E)-2-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxo-3-propanenitrile-2-yl]pyridine](/api/spectrum/8TC00hZCML7/structure.png?h=300&w=458 "2,6-Bis-[(2E)-2-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxo-3-propanenitrile-2-yl]pyridine")
| SpectraBase Compound ID | LRAlSu0Kqvy |
|---|---|
| InChI | InChI=1S/C31H19N7O4S2/c1-18(39)28-35-37(20-10-5-3-6-11-20)30(43-28)22(16-32)26(41)24-14-9-15-25(34-24)27(42)23(17-33)31-38(21-12-7-4-8-13-21)36-29(44-31)19(2)40/h3-15H,1-2H3/b30-22+,31-23+ |
| InChIKey | QERJEJCAOIQHKV-WECXDZCISA-N |
| Mol Weight | 617.66 g/mol |
| Molecular Formula | C31H19N7O4S2 |
| Exact Mass | 617.093994 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8TC00hZCML7 |
|---|---|
| Name | 2,6-Bis-[(2E)-2-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxo-3-propanenitrile-2-yl]pyridine |
| Alternate Name(s) | (2E,2'E)-3,3'-(pyridine-2,6-diyl)bis(2-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)-3-oxopropanenitrile) (2E)-2-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)-3-[6-[(2E)-2-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)-2-cyano-1-oxoethyl]-2-pyridinyl]-3-oxopropanenitrile (2E)-2-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)-3-[6-[(2E)-2-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)-2-cyanoacetyl]pyridin-2-yl]-3-oxopropanenitrile (2E)-2-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)-3-[6-[(2E)-2-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)-2-cyano-acetyl]-2-pyridyl]-3-oxo-propanenitrile (2E)-3-[6-[(2E)-2-cyano-2-(5-ethanoyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)ethanoyl]pyridin-2-yl]-2-(5-ethanoyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)-3-oxidanylidene-propanenitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H19N7O4S2 |
| InChI | InChI=1S/C31H19N7O4S2/c1-18(39)28-35-37(20-10-5-3-6-11-20)30(43-28)22(16-32)26(41)24-14-9-15-25(34-24)27(42)23(17-33)31-38(21-12-7-4-8-13-21)36-29(44-31)19(2)40/h3-15H,1-2H3/b30-22+,31-23+ |
| InChIKey | QERJEJCAOIQHKV-WECXDZCISA-N |
| Molecular Weight | 617.658 g/mol |
| SMILES | C1(=NN(\C(S1)=C/(C(c1nc(C(\C(=C/2N(N=C(S2)C(=O)C)c2ccccc2)C#N)=O)ccc1)=O)C#N)c1ccccc1)C(=O)C |
| SPLASH | splash10-004i-9000031000-5da60dc47a0b1f4a3b8c |
| Source of Spectrum | Y-50-1163-24a |
| Wiley ID | 1736750 |