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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4-(4-methoxyphenyl)-1-pyrindan-3-carbonitrile Formula: C28H30N2O2S MolecularWeight: 458.615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NC3=C2CCC3)SCC(=O)C45CC6CC(C4)CC(C6)C5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NC3=C2CCC3)SCC(=O)C45CC6CC(C4)CC(C6)C5)C#N

InChI

InChI=1S/C28H30N2O2S/c1-32-21-7-5-20(6-8-21)26-22-3-2-4-24(22)30-27(23(26)15-29)33-16-25(31)28-12-17-9-18(13-28)11-19(10-17)14-28/h5-8,17-19H,2-4,9-14,16H2,1H3