5-cyano-4-(4-methoxyphenyl)-3-(4-pyridin-4-ylpyridin-1-ium-1-yl)-6-sulfanyl-3,4-dihydropyridin-2-olate

Systemtic Name: 5-cyano-4-(4-methoxyphenyl)-3-(4-pyridin-4-ylpyridin-1-ium-1-yl)-6-sulfanyl-3,4-dihydropyridin-2-olate Openeye Name: 5-cyano-4-(4-methoxyphenyl)-3-[4-(4-pyridyl)pyridin-1-ium-1-yl]-6-sulfanyl-3,4-dihydropyridin-2-olate CAS Name: 5-cyano-6-mercapto-4-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1-pyridin-1-iumyl)-3,4-dihydropyridin-2-olate IUPAC Name: 5-cyano-4-(4-methoxyphenyl)-3-(4-pyridin-4-ylpyridin-1-ium-1-yl)-6-sulfanyl-3,4-dihydropyridin-2-olate Traditional Name: 5-cyano-6-mercapto-4-(4-methoxyphenyl)-3-[4-(4-pyridyl)pyridin-1-ium-1-yl]-3,4-dihydropyridin-2-olate Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=NC(=C2C#N)S)[O-])[N+]3=CC=C(C=C3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=NC(=C2C#N)S)[O-])[N+]3=CC=C(C=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H18N4O2S/c1-29-18-4-2-17(3-5-18)20-19(14-24)23(30)26-22(28)21(20)27-12-8-16(9-13-27)15-6-10-25-11-7-15/h2-13,20-21H,1H3,(H-,26,28,30)