| SpectraBase Spectrum ID |
70sTmiPdhSo |
| Name |
2-{3'-[(2'',2''-dimethylpropanoyl)seleno]ureido}-4,5,6,7-tetrahydrobenzo[1]thiophene-3-carbonitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.041405417 u |
| Formula |
C15H19N3OSSe |
| InChI |
InChI=1S/C15H19N3OSSe/c1-15(2,3)13(19)18-14(21)17-12-10(8-16)9-6-4-5-7-11(9)20-12/h4-7H2,1-3H3,(H2,17,18,19,21) |
| InChIKey |
XKVKZCVAYLBKCW-UHFFFAOYSA-N |
| Molecular Weight |
368.369 g/mol |
| SMILES |
C1(=C(C=2CCCCC2S1)C#N)NC(NC(C(C)(C)C)=O)=[Se] |
![2-{3'-[(2",2"-Dimethylpropanoyl)seleno]ureido}-4,5,6,7-tetrahydrobenzo[1]thiophene-3-carbonitrile](/api/spectrum/70sTmiPdhSo/structure.png?h=300&w=458 "2-{3'-[(2\",2\"-Dimethylpropanoyl)seleno]ureido}-4,5,6,7-tetrahydrobenzo[1]thiophene-3-carbonitrile")
