2-azanyl-4-(4-methoxyphenyl)-6-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)-6-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-methoxyphenyl)-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-methoxyphenyl)-6-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-methoxyphenyl)-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(4-phenylphenyl)ethyl]thio]-4-(4-methoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C28H21N4O2S+ MolecularWeight: 477.55694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)N)C#N

InChI

InChI=1S/C28H20N4O2S/c1-34-22-13-11-21(12-14-22)26-23(15-29)27(31)32-28(24(26)16-30)35-17-25(33)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14H,17H2,1H3,(H2,31,32)/p+1