2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-1-pyrindan-3-carbonitrile Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(C(=C2)C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC2=C(C1)N=C(C(=C2)C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H24N2OS/c22-11-17-7-16-2-1-3-18(16)23-20(17)25-12-19(24)21-8-13-4-14(9-21)6-15(5-13)10-21/h7,13-15H,1-6,8-10,12H2