N-[(1S)-1-(1-adamantyl)ethyl]-2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-[(1S)-1-(1-adamantyl)ethyl]acetamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-[(1S)-1-(1-adamantyl)ethyl]acetamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-[(1S)-1-(1-adamantyl)ethyl]acetamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-[(1S)-1-(1-adamantyl)ethyl]acetamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)N[C@@H](C)C23CC4CC(C2)CC(C4)C3)C#N)C(=O)C

InChI

InChI=1S/C23H29N3O2S/c1-13-20(14(2)27)7-19(11-24)22(25-13)29-12-21(28)26-15(3)23-8-16-4-17(9-23)6-18(5-16)10-23/h7,15-18H,4-6,8-10,12H2,1-3H3,(H,26,28)/t15-,16?,17?,18?,23?/m0/s1