2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-azanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-amino-4-(4-isopropylphenyl)pyridine-3,5-dicarbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-amino-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-amino-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-amino-4-p-cumenyl-dinicotinonitrile Formula: C28H30N4OS MolecularWeight: 470.629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4)N)C#N

InChI

InChI=1S/C28H30N4OS/c1-16(2)20-3-5-21(6-4-20)25-22(13-29)26(31)32-27(23(25)14-30)34-15-24(33)28-10-17-7-18(11-28)9-19(8-17)12-28/h3-6,16-19H,7-12,15H2,1-2H3,(H2,31,32)