| SpectraBase Spectrum ID |
G5eG714yH4C |
| Name |
Methyl 4-[5'-phenylimino-4'-phenyl-.delta(2).-1,3,4-thiadiazolin-2'-yl]-5-oxopentanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.114712655 u |
| Formula |
C20H19N3O3S |
| InChI |
InChI=1S/C20H19N3O3S/c1-26-18(25)14-8-13-17(24)19-22-23(16-11-6-3-7-12-16)20(27-19)21-15-9-4-2-5-10-15/h2-7,9-12H,8,13-14H2,1H3/b21-20- |
| InChIKey |
NXPQZLLSCCNGFC-MRCUWXFGSA-N |
| Molecular Weight |
381.450 g/mol |
| SMILES |
C=1(S\C(N(N1)C1=CC=CC=C1)=N/C1=CC=CC=C1)C(=O)CCCC(=O)OC |
![Methyl 4-[5'-phenylimino-4'-phenyl-.delta(2).-1,3,4-thiadiazolin-2'-yl]-5-oxopentanoate](/api/spectrum/G5eG714yH4C/structure.png?h=300&w=458 "Methyl 4-[5'-phenylimino-4'-phenyl-.delta(2).-1,3,4-thiadiazolin-2'-yl]-5-oxopentanoate")
