N-(1-adamantyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridin-6-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[(3S)-3,5-dicyano-2-keto-4,4-dimethyl-1,3-dihydropyridin-6-yl]thio]acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)NC(=C1C#N)SCC(=O)NC23CC4CC(C2)CC(C4)C3)C#N)C

Isomeric SMILES

CC1([C@H](C(=O)NC(=C1C#N)SCC(=O)NC23CC4CC(C2)CC(C4)C3)C#N)C

InChI

InChI=1S/C21H26N4O2S/c1-20(2)15(9-22)18(27)24-19(16(20)10-23)28-11-17(26)25-21-6-12-3-13(7-21)5-14(4-12)8-21/h12-15H,3-8,11H2,1-2H3,(H,24,27)(H,25,26)/t12?,13?,14?,15-,21?/m0/s1