Catalog Number:
AG001OA4
Chemical Name:
Pyridinium, 1-(2-isothiocyanatoethyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]-, bromide (1:1)
CAS Number:
155862-91-2
Molecular Formula:
C18H16BrN3O2S
Molecular Weight:
418.3075
MDL Number:
MFCD08277001
IUPAC Name:
2-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole;bromide
InChI:
InChI=1S/C18H16N3O2S.BrH/c1-22-16-4-2-14(3-5-16)17-12-20-18(23-17)15-6-9-21(10-7-15)11-8-19-13-24;/h2-7,9-10,12H,8,11H2,1H3;1H/q+1;/p-1
InChI Key:
SKICOJPEBUOGMX-UHFFFAOYSA-M
SMILES:
S=C=NCC[n+]1ccc(cc1)c1ncc(o1)c1ccc(cc1)OC.[Br-]
