N-[1-(1-adamantyl)ethyl]-2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]acetamide Formula: C30H35N5OS MolecularWeight: 513.6968

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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)NC(C)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)NC(C)C34CC5CC(C3)CC(C5)C4)N)C#N

InChI

InChI=1S/C30H35N5OS/c1-17(2)22-4-6-23(7-5-22)27-24(14-31)28(33)35-29(25(27)15-32)37-16-26(36)34-18(3)30-11-19-8-20(12-30)10-21(9-19)13-30/h4-7,17-21H,8-13,16H2,1-3H3,(H2,33,35)(H,34,36)