| SpectraBase Spectrum ID |
BbRkMNscV6m |
| Name |
3-(Benzo[D][1,3]dioxol-5-yl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.049525575 u |
| Formula |
C17H14ClN3O2S |
| InChI |
InChI=1S/C17H14ClN3O2S/c18-12-4-1-10(2-5-12)14-8-13(20-21(14)17(19)24)11-3-6-15-16(7-11)23-9-22-15/h1-7,14H,8-9H2,(H2,19,24) |
| InChIKey |
YBHRVMFHTRXBFE-UHFFFAOYSA-N |
| Molecular Weight |
359.831 g/mol |
| SMILES |
C1=C(C=C2OCOC2=C1)C1=NN(C(C1)C1=CC=C(C=C1)Cl)C(=S)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871486 |
![3-(Benzo[d][1,3]dioxol-5-yl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide](/api/spectrum/BbRkMNscV6m/structure.png?h=300&w=458 "3-(Benzo[d][1,3]dioxol-5-yl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide")
