![3-BENZOYLTHIO-5-[N-BENZOYL-N-(ORTHO-CYANOBENZYL)-AMINO]-1,2,4-THIADIAZOLE](/api/spectrum/9EUDlOUYEpK/structure.png?h=300&w=458 "3-BENZOYLTHIO-5-[N-BENZOYL-N-(ORTHO-CYANOBENZYL)-AMINO]-1,2,4-THIADIAZOLE")
| SpectraBase Compound ID | 5J2dtRDsQp5 |
|---|---|
| InChI | InChI=1S/C24H16N4O2S2/c25-15-19-13-7-8-14-20(19)16-28(21(29)17-9-3-1-4-10-17)24-26-23(27-32-24)31-22(30)18-11-5-2-6-12-18/h1-14H,16H2 |
| InChIKey | YJELNUNTACLSDX-UHFFFAOYSA-N |
| Mol Weight | 456.54 g/mol |
| Molecular Formula | C24H16N4O2S2 |
| Exact Mass | 456.071468 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9EUDlOUYEpK |
|---|---|
| Name | 3-Benzoylthio-5-[N-benzoyl-N-(o-cyanobenzyl)amino]-[1,2,4]thiadiazole |
| Alternate Name(s) | benzenecarbothioic acid S-[5-[benzoyl-[(2-cyanophenyl)methyl]amino]-1,2,4-thiadiazol-3-yl]ester S-[5-[(2-cyanophenyl)methyl-(phenylcarbonyl)amino]-1,2,4-thiadiazol-3-yl]benzenecarbothioate S-[5-[benzoyl-[(2-cyanophenyl)methyl]amino]-1,2,4-thiadiazol-3-yl]benzenecarbothioate S-{5-[benzoyl(2-cyanobenzyl)amino]-1,2,4-thiadiazol-3-yl} benzenecarbothioate thiobenzoic acid S-[5-[benzoyl-(2-cyanobenzyl)amino]-1,2,4-thiadiazol-3-yl]ester benzenecarbothioic acid S-[5-[benzoyl-[(2-cyanophenyl)methyl]amino]-1,2,4-thiadiazol-3-yl] ester S-[5-[benzoyl-[(2-cyanophenyl)methyl]amino]-1,2,4-thiadiazol-3-yl] benzenecarbothioate S-[5-[(2-cyanophenyl)methyl-(phenylcarbonyl)amino]-1,2,4-thiadiazol-3-yl] benzenecarbothioate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H16N4O2S2 |
| InChI | InChI=1S/C24H16N4O2S2/c25-15-19-13-7-8-14-20(19)16-28(21(29)17-9-3-1-4-10-17)24-26-23(27-32-24)31-22(30)18-11-5-2-6-12-18/h1-14H,16H2 |
| InChIKey | YJELNUNTACLSDX-UHFFFAOYSA-N |
| Molecular Weight | 456.538 g/mol |
| SMILES | c1(N(C(=O)c2ccccc2)Cc2c(C#N)cccc2)nc(SC(=O)c2ccccc2)ns1 |
| SPLASH | splash10-0a6r-6910000000-cddb262e58e82b8a1ac9 |
| Source of Spectrum | KC-1993-29-15 |
| Wiley ID | 778776 |