| SpectraBase Spectrum ID |
wVrM3v9Shn |
| Name |
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)-4-[({[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzenesulfonamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.055500954 u |
| Formula |
C16H17N7O3S3 |
| InChI |
InChI=1S/C16H17N7O3S3/c1-3-13-19-20-16(28-13)22-29(25,26)11-6-4-10(5-7-11)17-15(27)18-14(24)12-8-9-23(2)21-12/h4-9H,3H2,1-2H3,(H,20,22)(H2,17,18,24,27) |
| InChIKey |
CRCDFAPFHLAXNK-UHFFFAOYSA-N |
| Molecular Weight |
451.538 g/mol |
| SMILES |
N(C=1SC(CC)=NN1)S(C=1C=CC(NC(NC(C2=NN(C)C=C2)=O)=S)=CC1)(=O)=O |
![N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[({[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzenesulfonamide](/api/spectrum/wVrM3v9Shn/structure.png?h=300&w=458 "N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[({[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzenesulfonamide")
