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

Systemtic Name: 2-azanyl-6-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-phenylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-phenylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C22H17N4O2S+ MolecularWeight: 401.46098

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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=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O2S/c1-28-16-9-7-14(8-10-16)19(27)13-29-22-18(12-24)20(15-5-3-2-4-6-15)17(11-23)21(25)26-22/h2-10H,13H2,1H3,(H2,25,26)/p+1