N-(2-adamantyl)-2-(3-cyanopyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-adamantyl)-2-(3-cyanopyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-adamantyl)-2-[(3-cyano-2-pyridyl)sulfanyl]acetamide CAS Name: N-(2-adamantyl)-2-[(3-cyano-2-pyridinyl)thio]acetamide IUPAC Name: N-(2-adamantyl)-2-(3-cyanopyridin-2-yl)sulfanylacetamide Traditional Name: N-(2-adamantyl)-2-[(3-cyano-2-pyridyl)thio]acetamide Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=C(C=CC=N4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=C(C=CC=N4)C#N

InChI

InChI=1S/C18H21N3OS/c19-9-13-2-1-3-20-18(13)23-10-16(22)21-17-14-5-11-4-12(7-14)8-15(17)6-11/h1-3,11-12,14-15,17H,4-8,10H2,(H,21,22)