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

*Links on SpectraBase are not permalinks.

1-Allyl-3-(4-methoxyphenyl)-1-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)urea

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

1-Allyl-3-(4-methoxyphenyl)-1-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)urea
SpectraBase Compound ID BZL7dbn6YDb
InChI InChI=1S/C18H17N5O2S/c1-3-12-23(17(24)20-14-4-6-15(25-2)7-5-14)18-22-21-16(26-18)13-8-10-19-11-9-13/h3-11H,1,12H2,2H3,(H,20,24)
InChIKey LLCRYZWYWUOEOG-UHFFFAOYSA-N
Mol Weight 367.43 g/mol
Molecular Formula C18H17N5O2S
Exact Mass 367.110296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 1gvHoEDxxn1
Name 1-Allyl-3-(4-methoxyphenyl)-1-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.110295979 u
Formula C18H17N5O2S
InChI InChI=1S/C18H17N5O2S/c1-3-12-23(17(24)20-14-4-6-15(25-2)7-5-14)18-22-21-16(26-18)13-8-10-19-11-9-13/h3-11H,1,12H2,2H3,(H,20,24)
InChIKey LLCRYZWYWUOEOG-UHFFFAOYSA-N
Molecular Weight 367.427 g/mol
SMILES C=1(SC(C=2C=CN=CC2)=NN1)N(C(NC1=CC=C(OC)C=C1)=O)CC=C