| SpectraBase Spectrum ID |
18RqEiRJTQd |
| Name |
1-(4-Chloro-phenyl)-3-(3-cyano-4,5,6,7-tetrahydro-benzo[B]thiophen-2-yl)-urea |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.054610956 u |
| Formula |
C16H14ClN3OS |
| InChI |
InChI=1S/C16H14ClN3OS/c17-10-5-7-11(8-6-10)19-16(21)20-15-13(9-18)12-3-1-2-4-14(12)22-15/h5-8H,1-4H2,(H2,19,20,21) |
| InChIKey |
CHTWFXJHJLJOMB-UHFFFAOYSA-N |
| Molecular Weight |
331.821 g/mol |
| SMILES |
C1(=C(C=2CCCCC2S1)C#N)NC(NC=1C=CC(=CC1)Cl)=O |
![1-(4-Chloro-phenyl)-3-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-urea](/api/spectrum/18RqEiRJTQd/structure.png?h=300&w=458 "1-(4-Chloro-phenyl)-3-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-urea")
