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

Systemtic Name: 2-[1-(3-isothiocyanatophenyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole bromide Openeye Name: 2-[1-(3-isothiocyanatophenyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)oxazole bromide CAS Name: 2-[1-(3-isothiocyanatophenyl)-4-pyridin-1-iumyl]-5-(4-methoxyphenyl)oxazole bromide IUPAC Name: 2-[1-(3-isothiocyanatophenyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole bromide Traditional Name: 2-[1-(3-isothiocyanatophenyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)oxazole bromide Formula: C22H16BrN3O2S MolecularWeight: 466.35034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)C4=CC=CC(=C4)N=C=S.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)C4=CC=CC(=C4)N=C=S.[Br-]

InChI

InChI=1S/C22H16N3O2S.BrH/c1-26-20-7-5-16(6-8-20)21-14-23-22(27-21)17-9-11-25(12-10-17)19-4-2-3-18(13-19)24-15-28;/h2-14H,1H3;1H/q+1;/p-1