6-(1-adamantyl)-2-[(3-methoxyphenyl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-(1-adamantyl)-2-[(3-methoxyphenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-[(3-methoxyphenyl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-[(3-methoxyphenyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-[(3-methoxyphenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-(m-anisylthio)nicotinonitrile Formula: C24H26N2OS MolecularWeight: 390.54104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2OS/c1-27-21-4-2-3-16(10-21)15-28-23-20(14-25)5-6-22(26-23)24-11-17-7-18(12-24)9-19(8-17)13-24/h2-6,10,17-19H,7-9,11-13,15H2,1H3