2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-(4-methoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-(4-methoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-(4-methoxyphenyl)nicotinonitrile Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H26N2O2S/c1-29-21-5-2-19(3-6-21)22-7-4-20(14-26)24(27-22)30-15-23(28)25-11-16-8-17(12-25)10-18(9-16)13-25/h2-7,16-18H,8-13,15H2,1H3