| SpectraBase Spectrum ID |
3YX6oICpJf6 |
| Name |
2-[5-Amino-2-(propylsulfanyl)-2-(4-chlorophenyl)-4-cyano-2,3-dihydrofuran-3-ylidene]propanedinitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.049859928 u |
| Formula |
C17H13ClN4OS |
| InChI |
InChI=1S/C17H13ClN4OS/c1-2-7-24-17(12-3-5-13(18)6-4-12)15(11(8-19)9-20)14(10-21)16(22)23-17/h3-6H,2,7,22H2,1H3 |
| InChIKey |
SCRKKHWSVMMPKM-UHFFFAOYSA-N |
| Molecular Weight |
356.831 g/mol |
| SMILES |
C1(C(C(C#N)=C(O1)N)=C(C#N)C#N)(C=1C=CC(=CC1)Cl)SCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806384 |
![2-[5-Amino-2-(propylsulfanyl)-2-(4-chlorophenyl)-4-cyano-2,3-dihydrofuran-3-ylidene]propanedinitrile](/api/spectrum/3YX6oICpJf6/structure.png?h=300&w=458 "2-[5-Amino-2-(propylsulfanyl)-2-(4-chlorophenyl)-4-cyano-2,3-dihydrofuran-3-ylidene]propanedinitrile")
