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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)C)C2=CN=CC=C2)C#N)SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)C)C2=CN=CC=C2)C#N)SCC(=O)NC34CC5CC(C3)CC(C5)C4

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/h3-5,13,17-19,23-24H,6-11,14H2,1-2H3,(H,30,32)/t17?,18?,19?,23?,24-,26?/m0/s1