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

Systemtic Name: 2-azanyl-6-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-isopropylphenyl)-6-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-4-p-cumenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C25H23N4O2S+ MolecularWeight: 443.54072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N4O2S/c1-15(2)16-4-6-18(7-5-16)23-20(12-26)24(28)29-25(21(23)13-27)32-14-22(30)17-8-10-19(31-3)11-9-17/h4-11,15H,14H2,1-3H3,(H2,28,29)/p+1