5-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole

Systemtic Name: 5-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole Openeye Name: 5-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)oxazole CAS Name: 5-[1-(2-isothiocyanatoethyl)-4-pyridin-1-iumyl]-2-(4-methoxyphenyl)oxazole IUPAC Name: 5-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole Traditional Name: 5-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)oxazole Formula: C18H16N3O2S+ MolecularWeight: 338.40354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CCN=C=S

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CCN=C=S

InChI

InChI=1S/C18H16N3O2S/c1-22-16-4-2-15(3-5-16)18-20-12-17(23-18)14-6-9-21(10-7-14)11-8-19-13-24/h2-7,9-10,12H,8,11H2,1H3/q+1