N-[(1R)-1-(1-adamantyl)ethyl]-2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetamide Formula: C32H33N3OS MolecularWeight: 507.68892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=C(C(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)C#N

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=C(C(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)C#N

InChI

InChI=1S/C32H33N3OS/c1-21(32-16-22-12-23(17-32)14-24(13-22)18-32)34-30(36)20-37-31-28(19-33)27(25-8-4-2-5-9-25)15-29(35-31)26-10-6-3-7-11-26/h2-11,15,21-24H,12-14,16-18,20H2,1H3,(H,34,36)/t21-,22?,23?,24?,32?/m1/s1