![Benzonitrile, 4-(5,11-imino-5H,11H-[1,5]dithiocino[2,3-b:6,7-b']dipyridin-13-yl)-](/api/spectrum/JBU1mbsm7V5/structure.png?h=300&w=458 "Benzonitrile, 4-(5,11-imino-5H,11H-[1,5]dithiocino[2,3-b:6,7-b']dipyridin-13-yl)-")
| SpectraBase Compound ID | 9wnqJ2TCIL9 |
|---|---|
| InChI | InChI=1S/C19H12N4S2/c20-11-12-5-7-13(8-6-12)23-18-14-3-1-9-21-16(14)24-19(23)15-4-2-10-22-17(15)25-18/h1-10,18-19H/t18-,19-/m1/s1 |
| InChIKey | STBGKLLSVHUMKU-RTBURBONSA-N |
| Mol Weight | 360.45 g/mol |
| Molecular Formula | C19H12N4S2 |
| Exact Mass | 360.050339 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JBU1mbsm7V5 |
|---|---|
| Name | Benzonitrile, 4-(5,11-imino-5H,11H-[1,5]dithiocino[2,3-b:6,7-b']dipyridin-13-yl)- |
| Alternate Name(s) | 13-p-cyanophenyl-5,11-imino-5H,11H-dipyrido[2,3-b:2',3'-f][1,5]dithiocine 4-(8,16-dithia-6,14,17-triazatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2,4,6,10,12,14-hexaen-17-yl)benzonitrile 5,11-Imino-5H,11H-[1,5]dithiocino[2,3-b:6,7-b']dipyridine, benzonitrile deriv. |
| CAS Registry Number | 72397-27-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H12N4S2 |
| InChI | InChI=1S/C19H12N4S2/c20-11-12-5-7-13(8-6-12)23-18-14-3-1-9-21-16(14)24-19(23)15-4-2-10-22-17(15)25-18/h1-10,18-19H/t18-,19-/m1/s1 |
| InChIKey | STBGKLLSVHUMKU-RTBURBONSA-N |
| Molecular Weight | 360.453 g/mol |
| SMILES | [C@@]12(N([C@@](c3c(S2)nccc3)(Sc2ncccc12)[H])c1ccc(C#N)cc1)[H] |
| SPLASH | splash10-0w29-1926000000-17787cfefd72d9a6f0c5 |
| Source of Spectrum | F-35-872-0 |
| Wiley ID | 1348236 |