2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanyl-7-oxidanylidene-4H-thieno[3,2-b]pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-5-hydroxy-7-keto-4H-thieno[3,2-b]pyridine-3-carbonitrile Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S2/c21-8-13-17-18(14(23)4-16(25)22-17)27-19(13)26-9-15(24)20-5-10-1-11(6-20)3-12(2-10)7-20/h4,10-12H,1-3,5-7,9H2,(H2,22,23,25)