2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4-methyl-1-pyrindan-3-carbonitrile Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C1CCC2)SCC(=O)C34CC5CC(C3)CC(C5)C4)C#N

Isomeric SMILES

CC1=C(C(=NC2=C1CCC2)SCC(=O)C34CC5CC(C3)CC(C5)C4)C#N

InChI

InChI=1S/C22H26N2OS/c1-13-17-3-2-4-19(17)24-21(18(13)11-23)26-12-20(25)22-8-14-5-15(9-22)7-16(6-14)10-22/h14-16H,2-10,12H2,1H3