N-(1-adamantyl)-2-[(3-cyano-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(3-cyano-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(3-cyano-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridin-2-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(3-cyano-5-hydroxy-7-keto-4H-thieno[3,2-b]pyridin-2-yl)thio]acetamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C(C5=C(S4)C(=O)C=C(N5)O)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=C(C5=C(S4)C(=O)C=C(N5)O)C#N

InChI

InChI=1S/C20H21N3O3S2/c21-8-13-17-18(14(24)4-15(25)22-17)28-19(13)27-9-16(26)23-20-5-10-1-11(6-20)3-12(2-10)7-20/h4,10-12H,1-3,5-7,9H2,(H,23,26)(H2,22,24,25)