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

Systemtic Name: 2-azanyl-6-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-4-propan-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-isopropyl-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]-4-propan-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-4-propan-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-isopropyl-6-[[2-keto-2-(4-phenylphenyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C24H21N4OS+ MolecularWeight: 413.51474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)N)C#N

InChI

InChI=1S/C24H20N4OS/c1-15(2)22-19(12-25)23(27)28-24(20(22)13-26)30-14-21(29)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15H,14H2,1-2H3,(H2,27,28)/p+1