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

Systemtic Name: 5-[1-[(3-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole Openeye Name: 5-[1-[(3-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)oxazole CAS Name: 5-[1-[(3-isothiocyanatophenyl)methyl]-4-pyridin-1-iumyl]-2-(4-methoxyphenyl)oxazole IUPAC Name: 5-[1-[(3-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole Traditional Name: 5-[1-(3-isothiocyanatobenzyl)pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)oxazole Formula: C23H18N3O2S+ MolecularWeight: 400.47292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CC4=CC(=CC=C4)N=C=S

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CC4=CC(=CC=C4)N=C=S

InChI

InChI=1S/C23H18N3O2S/c1-27-21-7-5-19(6-8-21)23-24-14-22(28-23)18-9-11-26(12-10-18)15-17-3-2-4-20(13-17)25-16-29/h2-14H,15H2,1H3/q+1