6-(1-adamantyl)-2-[(Z)-3-phenylprop-2-enyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-(1-adamantyl)-2-[(Z)-3-phenylprop-2-enyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-[(Z)-cinnamyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-[[(Z)-3-phenylprop-2-enyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-[(Z)-3-phenylprop-2-enyl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-[[(Z)-cinnamyl]thio]nicotinonitrile Formula: C25H26N2S MolecularWeight: 386.55234

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SCC=CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C=C4)C#N)SC/C=C\C5=CC=CC=C5

InChI

InChI=1S/C25H26N2S/c26-17-22-8-9-23(25-14-19-11-20(15-25)13-21(12-19)16-25)27-24(22)28-10-4-7-18-5-2-1-3-6-18/h1-9,19-21H,10-16H2/b7-4-