8-cyano-5-(4-methoxyphenyl)-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-olate

Systemtic Name: 8-cyano-5-(4-methoxyphenyl)-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-olate Openeye Name: 8-cyano-5-(4-methoxyphenyl)-2-phenyl-thiazolo[3,2-a]pyridin-4-ium-3-olate CAS Name: 8-cyano-5-(4-methoxyphenyl)-2-phenyl-3-thiazolo[3,2-a]pyridin-4-iumolate IUPAC Name: 8-cyano-5-(4-methoxyphenyl)-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-olate Traditional Name: 8-cyano-5-(4-methoxyphenyl)-2-phenyl-thiazolo[3,2-a]pyridin-4-ium-3-olate Formula: C21H14N2O2S MolecularWeight: 358.41306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[N+]3C(=C(SC3=C(C=C2)C#N)C4=CC=CC=C4)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=[N+]3C(=C(SC3=C(C=C2)C#N)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H14N2O2S/c1-25-17-10-7-14(8-11-17)18-12-9-16(13-22)21-23(18)20(24)19(26-21)15-5-3-2-4-6-15/h2-12H,1H3