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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=C(C=CC(=N2)C34CC5CC(C3)CC(C5)C4)C#N

InChI

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