2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC2=C(CC1)N=C(C(=C2)C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N2OS/c24-13-19-9-18-4-2-1-3-5-20(18)25-22(19)27-14-21(26)23-10-15-6-16(11-23)8-17(7-15)12-23/h9,15-17H,1-8,10-12,14H2