| SpectraBase Spectrum ID |
28yEo6p5noU |
| Name |
2-[phenyl-(2,4,6-trimethyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl)sulfanyl-methylidene]propanedinitrile |
| CAS Registry Number |
118575-23-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H16N2OS |
| InChI |
InChI=1S/C20H16N2OS/c1-13-9-14(2)18(23)19(15(3)10-13)24-20(17(11-21)12-22)16-7-5-4-6-8-16/h4-10H,1-3H3 |
| InChIKey |
PYPSHIOUTUYDGI-UHFFFAOYSA-N |
| Molecular Weight |
332.421 g/mol |
| SMILES |
C=1(SC(=C(C#N)C#N)c2ccccc2)C(C(=CC(=CC1C)C)C)=O |
| SPLASH |
splash10-014i-0009000000-93b5f32fe44b6276997e |
| Source of Spectrum |
K-122-665-24 |
| Synonyms |
2-[phenyl-(2,4,6-trimethyl-7-oxo-cyclohepta-1,3,5-trien-1-yl)sulfanyl-methylene]propanedinitrile
2-[phenyl-(2,4,6-trimethyl-7-oxocyclohepta-1,3,5-trien-1-yl)sulfanylmethylidene]propanedinitrile
2-[phenyl-[(2,4,6-trimethyl-7-oxo-1-cyclohepta-1,3,5-trienyl)thio]methylidene]propanedinitrile
2-[[(7-keto-2,4,6-trimethyl-cyclohepta-1,3,5-trien-1-yl)thio]-phenyl-methylene]malononitrile |
| Wiley ID |
1329541 |
![[ALPHA-(2,4,6-TRIMETHYL-7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YLTHIO)-BENZYLIDENE]-PROPANEDINITRILE](/api/spectrum/28yEo6p5noU/structure.png?h=300&w=458 "[ALPHA-(2,4,6-TRIMETHYL-7-OXO-1,3,5-CYCLOHEPTATRIEN-1-YLTHIO)-BENZYLIDENE]-PROPANEDINITRILE")
