N-(1-adamantyl)-2-[(3-cyano-5-ethanoyl-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(3-cyano-5-ethanoyl-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-2-yl)sulfanyl]ethanamide Openeye Name: 2-[[5-acetyl-3-cyano-6-methyl-4-(3-pyridyl)-1,4-dihydropyridin-2-yl]sulfanyl]-N-(1-adamantyl)acetamide CAS Name: 2-[[5-acetyl-3-cyano-6-methyl-4-(3-pyridinyl)-1,4-dihydropyridin-2-yl]thio]-N-(1-adamantyl)acetamide IUPAC Name: 2-[(5-acetyl-3-cyano-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-2-yl)sulfanyl]-N-(1-adamantyl)acetamide Traditional Name: 2-[[5-acetyl-3-cyano-6-methyl-4-(3-pyridyl)-1,4-dihydropyridin-2-yl]thio]-N-(1-adamantyl)acetamide Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC23CC4CC(C2)CC(C4)C3)C#N)C5=CN=CC=C5)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC23CC4CC(C2)CC(C4)C3)C#N)C5=CN=CC=C5)C(=O)C

InChI

InChI=1S/C26H30N4O2S/c1-15-23(16(2)31)24(20-4-3-5-28-13-20)21(12-27)25(29-15)33-14-22(32)30-26-9-17-6-18(10-26)8-19(7-17)11-26/h3-5,13,17-19,24,29H,6-11,14H2,1-2H3,(H,30,32)