For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5-METHYL-3-[PARA-(8'-PHENYL-7',8'-DIHYDRO-S-[1,2,4]-TRIAZOLO-[3,4-B]-1,3,4-THIADIAZEPINE-6'-YL)-PHENYL]-3H-2-OXO-DELTA(4)-1,3,4-OXADIAZOLE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-METHYL-3-[PARA-(8'-PHENYL-7',8'-DIHYDRO-S-[1,2,4]-TRIAZOLO-[3,4-B]-1,3,4-THIADIAZEPINE-6'-YL)-PHENYL]-3H-2-OXO-DELTA(4)-1,3,4-OXADIAZOLE
SpectraBase Compound ID FkREqxlIomv
InChI InChI=1S/C20H16N6O2S/c1-13-23-26(20(27)28-13)16-9-7-14(8-10-16)17-11-18(15-5-3-2-4-6-15)29-19-22-21-12-25(19)24-17/h2-10,12,18H,11H2,1H3
InChIKey FRQMJNFDPUEYRQ-UHFFFAOYSA-N
Mol Weight 404.45 g/mol
Molecular Formula C20H16N6O2S
Exact Mass 404.105545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 12xpEqKBsex
Name 5-Methyl-3-[p-( 8'-phenyl-7',8'-dihydro-S-[1,2,4]-triazolo[3,4-b]-(1,3,4-thiadiazepin-6'-yl)-phenyl]-3H-2-oxo-.delta(4).-1,3,4-oxadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N6O2S
InChI InChI=1S/C20H16N6O2S/c1-13-23-26(20(27)28-13)16-9-7-14(8-10-16)17-11-18(15-5-3-2-4-6-15)29-19-22-21-12-25(19)24-17/h2-10,12,18H,11H2,1H3
InChIKey FRQMJNFDPUEYRQ-UHFFFAOYSA-N
Molecular Weight 404.448 g/mol
SMILES c12[n](N=C(CC(S2)c2ccccc2)c2ccc(N3C(OC(=N3)C)=O)cc2)cnn1
SPLASH splash10-004i-0194100000-d4e0d054ef3c8d960d45
Source of Spectrum AJ-43-348-7
Wiley ID 1593903