6-(1-adamantyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-(1-adamantyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-(phenacylthio)-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-phenacylsulfanylpyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-(phenacylthio)nicotinonitrile Formula: C24H24N2OS MolecularWeight: 388.52516

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H24N2OS/c25-14-20-6-7-22(24-11-16-8-17(12-24)10-18(9-16)13-24)26-23(20)28-15-21(27)19-4-2-1-3-5-19/h1-7,16-18H,8-13,15H2