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

Systemtic Name: 2-azanyl-4-(4-hydroxyphenyl)-6-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-hydroxyphenyl)-6-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-hydroxyphenyl)-6-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-hydroxyphenyl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-hydroxyphenyl)-6-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C22H17N4O3S+ MolecularWeight: 417.46038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)O)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=C(C=C3)O)C#N

InChI

InChI=1S/C22H16N4O3S/c1-29-16-8-4-13(5-9-16)19(28)12-30-22-18(11-24)20(17(10-23)21(25)26-22)14-2-6-15(27)7-3-14/h2-9,27H,12H2,1H3,(H2,25,26)/p+1