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

Systemtic Name: 5-[1-[2-(4-isothiocyanatophenoxy)ethyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole Openeye Name: 5-[1-[2-(4-isothiocyanatophenoxy)ethyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)oxazole CAS Name: 5-[1-[2-(4-isothiocyanatophenoxy)ethyl]-4-pyridin-1-iumyl]-2-(4-methoxyphenyl)oxazole IUPAC Name: 5-[1-[2-(4-isothiocyanatophenoxy)ethyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole Traditional Name: 5-[1-[2-(4-isothiocyanatophenoxy)ethyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)oxazole Formula: C24H20N3O3S+ MolecularWeight: 430.4989

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CCOC4=CC=C(C=C4)N=C=S

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CCOC4=CC=C(C=C4)N=C=S

InChI

InChI=1S/C24H20N3O3S/c1-28-21-6-2-19(3-7-21)24-25-16-23(30-24)18-10-12-27(13-11-18)14-15-29-22-8-4-20(5-9-22)26-17-31/h2-13,16H,14-15H2,1H3/q+1